N,N-dimethyl-2-[4-[1-(phenylsulfonyl)piperidin-4-yl]carbonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N,N-dimethyl-2-[4-[1-(phenylsulfonyl)piperidin-4-yl]carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-[4-[1-(benzenesulfonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[1-(benzenesulfonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-(1-besylisonipecotoyl)-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide Formula: C21H32N4O4S MolecularWeight: 436.56818

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1CCCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)CN1CCCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H32N4O4S/c1-22(2)20(26)17-23-11-6-12-24(16-15-23)21(27)18-9-13-25(14-10-18)30(28,29)19-7-4-3-5-8-19/h3-5,7-8,18H,6,9-17H2,1-2H3