2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-[1-(phenylmethyl)piperidin-4-yl]ethanamide

Systemtic Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-[1-(phenylmethyl)piperidin-4-yl]ethanamide Openeye Name: N-(1-benzyl-4-piperidyl)-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-[1-(phenylmethyl)-4-piperidinyl]acetamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-(4-tosyl-1,4-diazepan-1-yl)acetamide Formula: C26H36N4O3S MolecularWeight: 484.65404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H36N4O3S/c1-22-8-10-25(11-9-22)34(32,33)30-15-5-14-28(18-19-30)21-26(31)27-24-12-16-29(17-13-24)20-23-6-3-2-4-7-23/h2-4,6-11,24H,5,12-21H2,1H3,(H,27,31)