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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 1-(4-isopropylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinecarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-cumenylsulfonylisonipecotic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C24H36N2O5S MolecularWeight: 464.61804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)N3CCCCCC3

InChI

InChI=1S/C24H36N2O5S/c1-18(2)20-8-10-22(11-9-20)32(29,30)26-16-12-21(13-17-26)24(28)31-19(3)23(27)25-14-6-4-5-7-15-25/h8-11,18-19,21H,4-7,12-17H2,1-3H3