[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[1-(p-tolylsulfonyl)-4-piperidyl]methanone CAS Name: [1-(4-methylphenyl)sulfonyl-4-piperidinyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(1-tosyl-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)N3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O3S/c1-21-8-10-24(11-9-21)32(30,31)28-16-12-23(13-17-28)25(29)27-15-5-14-26(18-19-27)20-22-6-3-2-4-7-22/h2-4,6-11,23H,5,12-20H2,1H3