4-phenyl-3-sulfamoyl-5-(thiophen-3-ylmethylamino)benzoic acid

Systemtic Name: 4-phenyl-3-sulfamoyl-5-(thiophen-3-ylmethylamino)benzoic acid Openeye Name: 4-phenyl-3-sulfamoyl-5-(3-thienylmethylamino)benzoic acid CAS Name: 4-phenyl-3-sulfamoyl-5-(3-thiophenylmethylamino)benzoic acid IUPAC Name: 4-phenyl-3-sulfamoyl-5-(thiophen-3-ylmethylamino)benzoic acid Traditional Name: 4-phenyl-3-sulfamoyl-5-(3-thenylamino)benzoic acid Formula: C18H16N2O4S2 MolecularWeight: 388.46064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3=CSC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3=CSC=C3

InChI

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