3-methyl-4-[[3-(prop-2-ynylsulfamoyl)phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[[3-(prop-2-ynylsulfamoyl)phenyl]carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzoic acid CAS Name: 3-methyl-4-[[oxo-[3-(prop-2-ynylsulfamoyl)phenyl]methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzoic acid Traditional Name: 3-methyl-4-[[3-(propargylsulfamoyl)benzoyl]amino]benzoic acid Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C

InChI

InChI=1S/C18H16N2O5S/c1-3-9-19-26(24,25)15-6-4-5-13(11-15)17(21)20-16-8-7-14(18(22)23)10-12(16)2/h1,4-8,10-11,19H,9H2,2H3,(H,20,21)(H,22,23)