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Summary Geometry Related PDB entries

P9M

Summary

Name:	N-cyclopentyl-5-(3,5-dimethylisoxazol-4-yl)-2-methylbenzenesulfonamide
Formula:	C17 H22 N2 O3 S
Formal charge:	0
Formula weight:	334.433 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide
OpenEye OEToolkits	1.9.2	N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-benzenesulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(c2cc(c1c(onc1C)C)ccc2C)NC3CCCC3
InChI	InChI	1.03	InChI=1S/C17H22N2O3S/c1-11-8-9-14(17-12(2)18-22-13(17)3)10-16(11)23(20,21)19-15-6-4-5-7-15/h8-10,15,19H,4-7H2,1-3H3
InChIKey	InChI	1.03	YTFPNQZFSVSZGW-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1onc(C)c1c2ccc(C)c(c2)[S](=O)(=O)NC3CCCC3
SMILES	CACTVS	3.385	Cc1onc(C)c1c2ccc(C)c(c2)[S](=O)(=O)NC3CCCC3
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc3C)C
SMILES	OpenEye OEToolkits	1.9.2	Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc3C)C

223532

PDB entries from 2024-08-07

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