azepan-1-yl-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[1-(3,4-dimethylphenyl)sulfonylisonipecotoyl]-4-piperidyl]methanone Formula: C26H39N3O4S MolecularWeight: 489.67056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC(CC3)C(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC(CC3)C(=O)N4CCCCCC4)C

InChI

InChI=1S/C26H39N3O4S/c1-20-7-8-24(19-21(20)2)34(32,33)29-17-11-23(12-18-29)26(31)28-15-9-22(10-16-28)25(30)27-13-5-3-4-6-14-27/h7-8,19,22-23H,3-6,9-18H2,1-2H3