4-[[2-(3-methylphenyl)-4-oxidanylidene-pentanoyl]sulfamoyl]benzoic acid

Systemtic Name: 4-[[2-(3-methylphenyl)-4-oxidanylidene-pentanoyl]sulfamoyl]benzoic acid Openeye Name: 4-[[2-(m-tolyl)-4-oxo-pentanoyl]sulfamoyl]benzoic acid CAS Name: 4-[[2-(3-methylphenyl)-1,4-dioxopentyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[2-(3-methylphenyl)-4-oxopentanoyl]sulfamoyl]benzoic acid Traditional Name: 4-[[4-keto-2-(m-tolyl)pentanoyl]sulfamoyl]benzoic acid Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)C)C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)C)C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H19NO6S/c1-12-4-3-5-15(10-12)17(11-13(2)21)18(22)20-27(25,26)16-8-6-14(7-9-16)19(23)24/h3-10,17H,11H2,1-2H3,(H,20,22)(H,23,24)