(2-oxidanylideneazepan-3-yl) 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-oxoazepan-3-yl) 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-methoxycarbonylphenyl)sulfonyl-4-piperidinecarboxylic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-carbomethoxyphenyl)sulfonylisonipecotic acid (2-ketoazepan-3-yl) ester Formula: C20H26N2O7S MolecularWeight: 438.49464

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)OC3CCCCNC3=O

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)OC3CCCCNC3=O

InChI

InChI=1S/C20H26N2O7S/c1-28-20(25)15-6-2-3-8-17(15)30(26,27)22-12-9-14(10-13-22)19(24)29-16-7-4-5-11-21-18(16)23/h2-3,6,8,14,16H,4-5,7,9-13H2,1H3,(H,21,23)