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

Systemtic Name: 2-[cyclopropyl-(phenylmethyl)amino]-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[benzyl(cyclopropyl)amino]-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[cyclopropyl-(phenylmethyl)amino]-1-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[benzyl(cyclopropyl)amino]-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[benzyl(cyclopropyl)amino]-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]ethanone Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN(CC3=CC=CC=C3)C4CC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN(CC3=CC=CC=C3)C4CC4)OC

InChI

InChI=1S/C24H31N3O5S/c1-31-22-11-10-21(16-23(22)32-2)33(29,30)27-14-12-25(13-15-27)24(28)18-26(20-8-9-20)17-19-6-4-3-5-7-19/h3-7,10-11,16,20H,8-9,12-15,17-18H2,1-2H3