2-methoxy-5-[[[4-(prop-2-ynylsulfamoyl)phenyl]carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[[4-(prop-2-ynylsulfamoyl)phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[oxo-[4-(prop-2-ynylsulfamoyl)phenyl]methyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[4-(propargylsulfamoyl)benzoyl]amino]methyl]benzoic acid Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C)C(=O)O

InChI

InChI=1S/C19H18N2O6S/c1-3-10-21-28(25,26)15-7-5-14(6-8-15)18(22)20-12-13-4-9-17(27-2)16(11-13)19(23)24/h1,4-9,11,21H,10,12H2,2H3,(H,20,22)(H,23,24)