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

Systemtic Name: 6-cyclopropyl-1-methylidene-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]pyridin-1-ium-4-carboxylic acid Openeye Name: 3-(benzylsulfonylamino)-6-cyclopropyl-1-methylene-2-oxo-pyridin-1-ium-4-carboxylic acid CAS Name: 6-cyclopropyl-1-methylene-2-oxo-3-[(phenylmethyl)sulfonylamino]-4-pyridin-1-iumcarboxylic acid IUPAC Name: 3-(benzylsulfonylamino)-6-cyclopropyl-1-methylidene-2-oxopyridin-1-ium-4-carboxylic acid Traditional Name: 3-(benzylsulfonylamino)-6-cyclopropyl-2-keto-1-methylene-pyridin-1-ium-4-carboxylic acid Formula: C17H17N2O5S+ MolecularWeight: 361.39228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5S/c1-19-14(12-7-8-12)9-13(17(21)22)15(16(19)20)18-25(23,24)10-11-5-3-2-4-6-11/h2-6,9,12,18H,1,7-8,10H2/p+1