(2-oxidanylideneazepan-3-yl) 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-oxoazepan-3-yl) 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,4-dimethylphenyl)sulfonylisonipecotic acid (2-ketoazepan-3-yl) ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3CCCCNC3=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3CCCCNC3=O)C

InChI

InChI=1S/C20H28N2O5S/c1-14-6-7-18(15(2)13-14)28(25,26)22-11-8-16(9-12-22)20(24)27-17-5-3-4-10-21-19(17)23/h6-7,13,16-17H,3-5,8-12H2,1-2H3,(H,21,23)