2-butyl-1-[[1-carboxy-4-chloranyl-5-(phenylsulfonyl)pyrrolidin-3-yl]methyl]-6-oxidanylidene-pyridine-4-carboxylic acid

Systemtic Name: 2-butyl-1-[[1-carboxy-4-chloranyl-5-(phenylsulfonyl)pyrrolidin-3-yl]methyl]-6-oxidanylidene-pyridine-4-carboxylic acid Openeye Name: 1-[[5-(benzenesulfonyl)-1-carboxy-4-chloro-pyrrolidin-3-yl]methyl]-2-butyl-6-oxo-pyridine-4-carboxylic acid CAS Name: 1-[[5-(benzenesulfonyl)-1-carboxy-4-chloro-3-pyrrolidinyl]methyl]-2-butyl-6-oxo-4-pyridinecarboxylic acid IUPAC Name: 1-[[5-(benzenesulfonyl)-1-carboxy-4-chloropyrrolidin-3-yl]methyl]-2-butyl-6-oxopyridine-4-carboxylic acid Traditional Name: 1-[(5-besyl-1-carboxy-4-chloro-pyrrolidin-3-yl)methyl]-2-butyl-6-keto-isonicotinic acid Formula: C22H25ClN2O7S MolecularWeight: 496.9611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=O)N1CC2CN(C(C2Cl)S(=O)(=O)C3=CC=CC=C3)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=CC(=CC(=O)N1CC2CN(C(C2Cl)S(=O)(=O)C3=CC=CC=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H25ClN2O7S/c1-2-3-7-16-10-14(21(27)28)11-18(26)24(16)12-15-13-25(22(29)30)20(19(15)23)33(31,32)17-8-5-4-6-9-17/h4-6,8-11,15,19-20H,2-3,7,12-13H2,1H3,(H,27,28)(H,29,30)