2-butyl-1-[[1-carboxy-3-chloranyl-2-(phenylsulfonyl)piperidin-4-yl]methyl]-6-oxidanylidene-pyridine-4-carboxylic acid

Systemtic Name: 2-butyl-1-[[1-carboxy-3-chloranyl-2-(phenylsulfonyl)piperidin-4-yl]methyl]-6-oxidanylidene-pyridine-4-carboxylic acid Openeye Name: 1-[[2-(benzenesulfonyl)-1-carboxy-3-chloro-4-piperidyl]methyl]-2-butyl-6-oxo-pyridine-4-carboxylic acid CAS Name: 1-[[2-(benzenesulfonyl)-1-carboxy-3-chloro-4-piperidinyl]methyl]-2-butyl-6-oxo-4-pyridinecarboxylic acid IUPAC Name: 1-[[2-(benzenesulfonyl)-1-carboxy-3-chloropiperidin-4-yl]methyl]-2-butyl-6-oxopyridine-4-carboxylic acid Traditional Name: 1-[(2-besyl-1-carboxy-3-chloro-4-piperidyl)methyl]-2-butyl-6-keto-isonicotinic acid Formula: C23H27ClN2O7S MolecularWeight: 510.98768

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN2O7S/c1-2-3-7-17-12-16(22(28)29)13-19(27)26(17)14-15-10-11-25(23(30)31)21(20(15)24)34(32,33)18-8-5-4-6-9-18/h4-6,8-9,12-13,15,20-21H,2-3,7,10-11,14H2,1H3,(H,28,29)(H,30,31)