English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

A1IKH

Summary

Name:	3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-N,N-dimethyl-4-pyrrolidin-1-yl-benzenesulfonamide
Synonyms:	3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]carbonyl]-N,N-dimethyl-4-(1-pyrrolidinyl)benzenesulfonamide
Formula:	C25 H34 N4 O3 S
Formal charge:	0
Formula weight:	470.627 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-~{N},~{N}-dimethyl-4-pyrrolidin-1-yl-benzenesulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C25H34N4O3S/c1-19-8-7-9-23(20(19)2)28-14-16-29(17-15-28)25(30)22-18-21(33(31,32)26(3)4)10-11-24(22)27-12-5-6-13-27/h7-11,18H,5-6,12-17H2,1-4H3
InChIKey	InChI	1.06	VRSJAHQGJHDACS-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C)[S](=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N3CCN(CC3)c4cccc(C)c4C
SMILES	CACTVS	3.385	CN(C)[S](=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N3CCN(CC3)c4cccc(C)c4C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cccc(c1C)N2CCN(CC2)C(=O)c3cc(ccc3N4CCCC4)S(=O)(=O)N(C)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1cccc(c1C)N2CCN(CC2)C(=O)c3cc(ccc3N4CCCC4)S(=O)(=O)N(C)C

251801

PDB entries from 2026-04-08

PDB statistics

PDBj update info

Contact PDBj

numon