3-[(4-chlorophenyl)methylsulfonylamino]-6-cyclopropyl-1-methylidene-2-oxidanylidene-pyridin-1-ium-4-carboxylic acid

Systemtic Name: 3-[(4-chlorophenyl)methylsulfonylamino]-6-cyclopropyl-1-methylidene-2-oxidanylidene-pyridin-1-ium-4-carboxylic acid Openeye Name: 3-[(4-chlorophenyl)methylsulfonylamino]-6-cyclopropyl-1-methylene-2-oxo-pyridin-1-ium-4-carboxylic acid CAS Name: 3-[(4-chlorophenyl)methylsulfonylamino]-6-cyclopropyl-1-methylene-2-oxo-4-pyridin-1-iumcarboxylic acid IUPAC Name: 3-[(4-chlorophenyl)methylsulfonylamino]-6-cyclopropyl-1-methylidene-2-oxopyridin-1-ium-4-carboxylic acid Traditional Name: 3-[(4-chlorobenzyl)sulfonylamino]-6-cyclopropyl-2-keto-1-methylene-pyridin-1-ium-4-carboxylic acid Formula: C17H16ClN2O5S+ MolecularWeight: 395.83734

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Descriptors Computed from Structure

Canonical SMILES:

C=[N+]1C(=CC(=C(C1=O)NS(=O)(=O)CC2=CC=C(C=C2)Cl)C(=O)O)C3CC3

Isomeric SMILES

C=[N+]1C(=CC(=C(C1=O)NS(=O)(=O)CC2=CC=C(C=C2)Cl)C(=O)O)C3CC3

InChI

InChI=1S/C17H15ClN2O5S/c1-20-14(11-4-5-11)8-13(17(22)23)15(16(20)21)19-26(24,25)9-10-2-6-12(18)7-3-10/h2-3,6-8,11,19H,1,4-5,9H2/p+1