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Summary Geometry Related PDB entries

A1IPG

Summary

Name:	~{N}-[[(3~{S})-1-ethanoylpyrrolidin-3-yl]methyl]-~{N}-methyl-4-quinolin-7-yl-benzenesulfonamide
Formula:	C23 H25 N3 O3 S
Formal charge:	0
Formula weight:	423.528 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}-[[(3~{S})-1-ethanoylpyrrolidin-3-yl]methyl]-~{N}-methyl-4-quinolin-7-yl-benzenesulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C23H25N3O3S/c1-17(27)26-13-11-18(16-26)15-25(2)30(28,29)22-9-7-19(8-10-22)21-6-5-20-4-3-12-24-23(20)14-21/h3-10,12,14,18H,11,13,15-16H2,1-2H3/t18-/m1/s1
InChIKey	InChI	1.06	ODJLDVQUQRRAAY-GOSISDBHSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C[C@H]1CCN(C1)C(C)=O)[S](=O)(=O)c2ccc(cc2)c3ccc4cccnc4c3
SMILES	CACTVS	3.385	CN(C[CH]1CCN(C1)C(C)=O)[S](=O)(=O)c2ccc(cc2)c3ccc4cccnc4c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(=O)N1CC[C@@H](C1)CN(C)S(=O)(=O)c2ccc(cc2)c3ccc4cccnc4c3
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)N1CCC(C1)CN(C)S(=O)(=O)c2ccc(cc2)c3ccc4cccnc4c3

248636

PDB entries from 2026-02-04

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