3-[(phenylmethyl)amino]-5-sulfamoyl-4-thiophen-3-yl-benzoic acid

Systemtic Name: 3-[(phenylmethyl)amino]-5-sulfamoyl-4-thiophen-3-yl-benzoic acid Openeye Name: 3-(benzylamino)-5-sulfamoyl-4-(3-thienyl)benzoic acid CAS Name: 3-[(phenylmethyl)amino]-5-sulfamoyl-4-(3-thiophenyl)benzoic acid IUPAC Name: 3-(benzylamino)-5-sulfamoyl-4-thiophen-3-ylbenzoic acid Traditional Name: 3-(benzylamino)-5-sulfamoyl-4-(3-thienyl)benzoic acid Formula: C18H16N2O4S2 MolecularWeight: 388.46064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)C3=CSC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)C3=CSC=C3

InChI

InChI=1S/C18H16N2O4S2/c19-26(23,24)16-9-14(18(21)22)8-15(17(16)13-6-7-25-11-13)20-10-12-4-2-1-3-5-12/h1-9,11,20H,10H2,(H,21,22)(H2,19,23,24)