1-[4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]-1-piperidyl]ethanone CAS Name: 1-[4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone Traditional Name: 1-[4-(4-tosyl-1,4-diazepane-1-carbonyl)piperidino]ethanone Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3CCN(CC3)C(=O)C

InChI

InChI=1S/C20H29N3O4S/c1-16-4-6-19(7-5-16)28(26,27)23-11-3-10-22(14-15-23)20(25)18-8-12-21(13-9-18)17(2)24/h4-7,18H,3,8-15H2,1-2H3