[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[(3S)-1-(p-tolylsulfonyl)-3-piperidyl]methanone CAS Name: [(3S)-1-(4-methylphenyl)sulfonyl-3-piperidinyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone Traditional Name: (4-benzylpiperazino)-[(3S)-1-tosyl-3-piperidyl]methanone Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O3S/c1-20-9-11-23(12-10-20)31(29,30)27-13-5-8-22(19-27)24(28)26-16-14-25(15-17-26)18-21-6-3-2-4-7-21/h2-4,6-7,9-12,22H,5,8,13-19H2,1H3/t22-/m0/s1