N-(2-methoxy-5-methyl-phenyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]propanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]propanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methoxy-5-methyl-phenyl)propanamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-(2-methoxy-5-methylphenyl)propanamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide Traditional Name: 2-(4-besylpiperazino)-N-(2-methoxy-5-methyl-phenyl)propionamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S/c1-16-9-10-20(28-3)19(15-16)22-21(25)17(2)23-11-13-24(14-12-23)29(26,27)18-7-5-4-6-8-18/h4-10,15,17H,11-14H2,1-3H3,(H,22,25)