N-[2-(4-methylphenyl)-2-[3-(phenylsulfonyl)piperazin-1-yl]ethyl]propane-2-sulfonamide

Systemtic Name: N-[2-(4-methylphenyl)-2-[3-(phenylsulfonyl)piperazin-1-yl]ethyl]propane-2-sulfonamide Openeye Name: N-[2-[3-(benzenesulfonyl)piperazin-1-yl]-2-(p-tolyl)ethyl]propane-2-sulfonamide CAS Name: N-[2-[3-(benzenesulfonyl)-1-piperazinyl]-2-(4-methylphenyl)ethyl]-2-propanesulfonamide IUPAC Name: N-[2-[3-(benzenesulfonyl)piperazin-1-yl]-2-(4-methylphenyl)ethyl]propane-2-sulfonamide Traditional Name: N-[2-(3-besylpiperazino)-2-(p-tolyl)ethyl]propane-2-sulfonamide Formula: C22H31N3O4S2 MolecularWeight: 465.62924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNS(=O)(=O)C(C)C)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(CNS(=O)(=O)C(C)C)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H31N3O4S2/c1-17(2)31(28,29)24-15-21(19-11-9-18(3)10-12-19)25-14-13-23-22(16-25)30(26,27)20-7-5-4-6-8-20/h4-12,17,21-24H,13-16H2,1-3H3