2-[cyclopropyl-(phenylmethyl)amino]-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[cyclopropyl-(phenylmethyl)amino]-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[benzyl(cyclopropyl)amino]-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[cyclopropyl-(phenylmethyl)amino]-1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[benzyl(cyclopropyl)amino]-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[benzyl(cyclopropyl)amino]-1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]ethanone Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN(CC3=CC=CC=C3)C4CC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN(CC3=CC=CC=C3)C4CC4)C

InChI

InChI=1S/C24H31N3O3S/c1-19-8-11-23(16-20(19)2)31(29,30)27-14-12-25(13-15-27)24(28)18-26(22-9-10-22)17-21-6-4-3-5-7-21/h3-8,11,16,22H,9-10,12-15,17-18H2,1-2H3