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

Systemtic Name: (2-oxidanylideneazepan-3-yl) 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-oxoazepan-3-yl) 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid (2-ketoazepan-3-yl) ester Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O5S/c1-14-5-7-16(8-6-14)27(24,25)21-12-9-15(10-13-21)19(23)26-17-4-2-3-11-20-18(17)22/h5-8,15,17H,2-4,9-13H2,1H3,(H,20,22)