[4-(3-methylphenyl)piperazin-1-yl]-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-(3-methylphenyl)piperazin-1-yl]-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [2-methyl-5-(1-piperidylsulfonyl)phenyl]-[4-(m-tolyl)piperazin-1-yl]methanone CAS Name: [4-(3-methylphenyl)-1-piperazinyl]-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(3-methylphenyl)piperazin-1-yl]-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: (2-methyl-5-piperidinosulfonyl-phenyl)-[4-(m-tolyl)piperazino]methanone Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C24H31N3O3S/c1-19-7-6-8-21(17-19)25-13-15-26(16-14-25)24(28)23-18-22(10-9-20(23)2)31(29,30)27-11-4-3-5-12-27/h6-10,17-18H,3-5,11-16H2,1-2H3