[4-(2-methylphenyl)piperazin-1-yl]-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)methanone

Systemtic Name: [4-(2-methylphenyl)piperazin-1-yl]-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)methanone Openeye Name: [4-(o-tolyl)piperazin-1-yl]-[5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-phenyl]methanone CAS Name: [4-(2-methylphenyl)-1-piperazinyl]-[5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: [4-(2-methylphenyl)piperazin-1-yl]-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone Traditional Name: [4-(o-tolyl)piperazino]-(5-piperidinosulfonyl-2-pyrrolidino-phenyl)methanone Formula: C27H36N4O3S MolecularWeight: 496.66474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)N5CCCC5

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)N5CCCC5

InChI

InChI=1S/C27H36N4O3S/c1-22-9-3-4-10-25(22)29-17-19-30(20-18-29)27(32)24-21-23(11-12-26(24)28-13-7-8-14-28)35(33,34)31-15-5-2-6-16-31/h3-4,9-12,21H,2,5-8,13-20H2,1H3