[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonylisonipecotic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H34N2O7S MolecularWeight: 482.59026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H34N2O7S/c1-17(22(26)24-12-6-4-5-7-13-24)32-23(27)18-10-14-25(15-11-18)33(28,29)19-8-9-20(30-2)21(16-19)31-3/h8-9,16-18H,4-7,10-15H2,1-3H3/t17-/m1/s1