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Summary Geometry Related PDB entries

RLV

Summary

Name:	4-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-N-propylbenzene-1-sulfonamide
Formula:	C14 H20 N2 O3 S
Formal charge:	0
Formula weight:	296.385 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-N-propylbenzene-1-sulfonamide
OpenEye OEToolkits	2.0.7	4-[(3~{R})-1-methyl-5-oxidanylidene-pyrrolidin-3-yl]-~{N}-propyl-benzenesulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CN2C(CC(c1ccc(S(NCCC)(=O)=O)cc1)C2)=O
InChI	InChI	1.03	InChI=1S/C14H20N2O3S/c1-3-8-15-20(18,19)13-6-4-11(5-7-13)12-9-14(17)16(2)10-12/h4-7,12,15H,3,8-10H2,1-2H3/t12-/m0/s1
InChIKey	InChI	1.03	UOJMSGYUFCDFLH-LBPRGKRZSA-N
SMILES_CANONICAL	CACTVS	3.385	CCCN[S](=O)(=O)c1ccc(cc1)[C@@H]2CN(C)C(=O)C2
SMILES	CACTVS	3.385	CCCN[S](=O)(=O)c1ccc(cc1)[CH]2CN(C)C(=O)C2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCCNS(=O)(=O)c1ccc(cc1)[C@H]2CC(=O)N(C2)C
SMILES	OpenEye OEToolkits	2.0.7	CCCNS(=O)(=O)c1ccc(cc1)C2CC(=O)N(C2)C

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PDB entries from 2024-10-09

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