4-[(3-methylphenyl)-(4-oxidanylidenepentanoyl)sulfamoyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C(=O)CCC(=O)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N(C(=O)CCC(=O)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)O

InChI

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