[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-acetylphenyl)sulfonyl-4-piperidinecarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-acetylphenyl)sulfonylisonipecotic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H32N2O6S MolecularWeight: 464.57498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C23H32N2O6S/c1-17(26)20-8-7-9-21(16-20)32(29,30)25-14-10-19(11-15-25)23(28)31-18(2)22(27)24-12-5-3-4-6-13-24/h7-9,16,18-19H,3-6,10-15H2,1-2H3