[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-[1-(phenylmethyl)sulfonylpiperidin-4-yl]methanone

Systemtic Name: [4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-[1-(phenylmethyl)sulfonylpiperidin-4-yl]methanone Openeye Name: (1-benzylsulfonyl-4-piperidyl)-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methanone CAS Name: [4-(5-chloro-2-methylphenyl)-1-piperazinyl]-[1-(phenylmethyl)sulfonyl-4-piperidinyl]methanone IUPAC Name: (1-benzylsulfonylpiperidin-4-yl)-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone Traditional Name: (1-benzylsulfonyl-4-piperidyl)-[4-(5-chloro-2-methyl-phenyl)piperazino]methanone Formula: C24H30ClN3O3S MolecularWeight: 476.0313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H30ClN3O3S/c1-19-7-8-22(25)17-23(19)26-13-15-27(16-14-26)24(29)21-9-11-28(12-10-21)32(30,31)18-20-5-3-2-4-6-20/h2-8,17,21H,9-16,18H2,1H3