4-[(2-butyl-6-oxidanylidene-4-phenylmethoxycarbonyl-pyridin-1-yl)methyl]-3-chloranyl-2-(phenylsulfonyl)piperidine-1-carboxylic acid

Systemtic Name: 4-[(2-butyl-6-oxidanylidene-4-phenylmethoxycarbonyl-pyridin-1-yl)methyl]-3-chloranyl-2-(phenylsulfonyl)piperidine-1-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-4-[(4-benzyloxycarbonyl-2-butyl-6-oxo-1-pyridyl)methyl]-3-chloro-piperidine-1-carboxylic acid CAS Name: 2-(benzenesulfonyl)-4-[(2-butyl-6-oxo-4-phenylmethoxycarbonyl-1-pyridinyl)methyl]-3-chloro-1-piperidinecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-4-[(2-butyl-6-oxo-4-phenylmethoxycarbonylpyridin-1-yl)methyl]-3-chloropiperidine-1-carboxylic acid Traditional Name: 2-besyl-4-[(2-butyl-4-carbobenzoxy-6-keto-1-pyridyl)methyl]-3-chloro-piperidine-1-carboxylic acid Formula: C30H33ClN2O7S MolecularWeight: 601.11022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=O)N1CC2CCN(C(C2Cl)S(=O)(=O)C3=CC=CC=C3)C(=O)O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC(=CC(=O)N1CC2CCN(C(C2Cl)S(=O)(=O)C3=CC=CC=C3)C(=O)O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H33ClN2O7S/c1-2-3-12-24-17-23(29(35)40-20-21-10-6-4-7-11-21)18-26(34)33(24)19-22-15-16-32(30(36)37)28(27(22)31)41(38,39)25-13-8-5-9-14-25/h4-11,13-14,17-18,22,27-28H,2-3,12,15-16,19-20H2,1H3,(H,36,37)