3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: 3-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(benzylcarbamoyl)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazino]propionamide Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)NC(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)NC(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C23H30N4O4S/c1-18-8-9-21(19(2)16-18)32(30,31)27-14-12-26(13-15-27)11-10-22(28)25-23(29)24-17-20-6-4-3-5-7-20/h3-9,16H,10-15,17H2,1-2H3,(H2,24,25,28,29)