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

Systemtic Name: 1-methylidene-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]-6-propyl-pyridin-1-ium-4-carboxylic acid Openeye Name: 3-(benzylsulfonylamino)-1-methylene-2-oxo-6-propyl-pyridin-1-ium-4-carboxylic acid CAS Name: 1-methylene-2-oxo-3-[(phenylmethyl)sulfonylamino]-6-propyl-4-pyridin-1-iumcarboxylic acid IUPAC Name: 3-(benzylsulfonylamino)-1-methylidene-2-oxo-6-propylpyridin-1-ium-4-carboxylic acid Traditional Name: 3-(benzylsulfonylamino)-2-keto-1-methylene-6-propyl-pyridin-1-ium-4-carboxylic acid Formula: C17H19N2O5S+ MolecularWeight: 363.40816

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C(=O)[N+]1=C)NS(=O)(=O)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCC1=CC(=C(C(=O)[N+]1=C)NS(=O)(=O)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H18N2O5S/c1-3-7-13-10-14(17(21)22)15(16(20)19(13)2)18-25(23,24)11-12-8-5-4-6-9-12/h4-6,8-10,18H,2-3,7,11H2,1H3/p+1