[4-(2-methylphenyl)piperazin-1-yl]-[4-phenyl-1-(phenylsulfonyl)pyrrolidin-3-yl]methanone

Systemtic Name: [4-(2-methylphenyl)piperazin-1-yl]-[4-phenyl-1-(phenylsulfonyl)pyrrolidin-3-yl]methanone Openeye Name: [1-(benzenesulfonyl)-4-phenyl-pyrrolidin-3-yl]-[4-(o-tolyl)piperazin-1-yl]methanone CAS Name: [1-(benzenesulfonyl)-4-phenyl-3-pyrrolidinyl]-[4-(2-methylphenyl)-1-piperazinyl]methanone IUPAC Name: [1-(benzenesulfonyl)-4-phenylpyrrolidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone Traditional Name: (1-besyl-4-phenyl-pyrrolidin-3-yl)-[4-(o-tolyl)piperazino]methanone Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3CN(CC3C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3CN(CC3C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3O3S/c1-22-10-8-9-15-27(22)29-16-18-30(19-17-29)28(32)26-21-31(20-25(26)23-11-4-2-5-12-23)35(33,34)24-13-6-3-7-14-24/h2-15,25-26H,16-21H2,1H3