2-butyl-1-[[4-(2-carboxypyrrolidin-1-yl)sulfonyl-2-chloranyl-phenyl]methyl]-6-oxidanylidene-pyridine-4-carboxylic acid

Systemtic Name: 2-butyl-1-[[4-(2-carboxypyrrolidin-1-yl)sulfonyl-2-chloranyl-phenyl]methyl]-6-oxidanylidene-pyridine-4-carboxylic acid Openeye Name: 2-butyl-1-[[4-(2-carboxypyrrolidin-1-yl)sulfonyl-2-chloro-phenyl]methyl]-6-oxo-pyridine-4-carboxylic acid CAS Name: 2-butyl-1-[[4-[(2-carboxy-1-pyrrolidinyl)sulfonyl]-2-chlorophenyl]methyl]-6-oxo-4-pyridinecarboxylic acid IUPAC Name: 2-butyl-1-[[4-(2-carboxypyrrolidin-1-yl)sulfonyl-2-chlorophenyl]methyl]-6-oxopyridine-4-carboxylic acid Traditional Name: 2-butyl-1-[4-(2-carboxypyrrolidino)sulfonyl-2-chloro-benzyl]-6-keto-isonicotinic acid Formula: C22H25ClN2O7S MolecularWeight: 496.9611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=O)N1CC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)O)Cl)C(=O)O

Isomeric SMILES

CCCCC1=CC(=CC(=O)N1CC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)O)Cl)C(=O)O

InChI

InChI=1S/C22H25ClN2O7S/c1-2-3-5-16-10-15(21(27)28)11-20(26)24(16)13-14-7-8-17(12-18(14)23)33(31,32)25-9-4-6-19(25)22(29)30/h7-8,10-12,19H,2-6,9,13H2,1H3,(H,27,28)(H,29,30)