methyl 4-[[2-(3-methylphenyl)-4-oxidanylidene-pentanoyl]sulfamoyl]benzoate

Systemtic Name: methyl 4-[[2-(3-methylphenyl)-4-oxidanylidene-pentanoyl]sulfamoyl]benzoate Openeye Name: methyl 4-[[2-(m-tolyl)-4-oxo-pentanoyl]sulfamoyl]benzoate CAS Name: 4-[[2-(3-methylphenyl)-1,4-dioxopentyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-methylphenyl)-4-oxopentanoyl]sulfamoyl]benzoate Traditional Name: 4-[[4-keto-2-(m-tolyl)pentanoyl]sulfamoyl]benzoic acid methyl ester Formula: C20H21NO6S MolecularWeight: 403.44884

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6S/c1-13-5-4-6-16(11-13)18(12-14(2)22)19(23)21-28(25,26)17-9-7-15(8-10-17)20(24)27-3/h4-11,18H,12H2,1-3H3,(H,21,23)