[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[1-(2,4-dimethylphenyl)sulfonyl-4-piperidyl]methanone CAS Name: [1-(2,4-dimethylphenyl)sulfonyl-4-piperidinyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: (4-benzylpiperazino)-[1-(2,4-dimethylphenyl)sulfonyl-4-piperidyl]methanone Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H33N3O3S/c1-20-8-9-24(21(2)18-20)32(30,31)28-12-10-23(11-13-28)25(29)27-16-14-26(15-17-27)19-22-6-4-3-5-7-22/h3-9,18,23H,10-17,19H2,1-2H3