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

Systemtic Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-phenyl-propanamide Openeye Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-phenyl-propanamide CAS Name: 3-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-phenylpropanamide IUPAC Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide Traditional Name: 3-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-N-phenyl-propionamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O3S/c1-17-8-9-20(18(2)16-17)28(26,27)24-14-12-23(13-15-24)11-10-21(25)22-19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H,22,25)