[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[1-(phenylsulfonyl)piperidin-3-yl]methanone

Systemtic Name: [4-[(2-methylphenyl)methyl]piperazin-1-yl]-[1-(phenylsulfonyl)piperidin-3-yl]methanone Openeye Name: [1-(benzenesulfonyl)-3-piperidyl]-[4-(o-tolylmethyl)piperazin-1-yl]methanone CAS Name: [1-(benzenesulfonyl)-3-piperidinyl]-[4-[(2-methylphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: [1-(benzenesulfonyl)piperidin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone Traditional Name: (1-besyl-3-piperidyl)-[4-(2-methylbenzyl)piperazino]methanone Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H31N3O3S/c1-20-8-5-6-9-21(20)18-25-14-16-26(17-15-25)24(28)22-10-7-13-27(19-22)31(29,30)23-11-3-2-4-12-23/h2-6,8-9,11-12,22H,7,10,13-19H2,1H3