5-(4-azidophenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-(4-azidophenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid Openeye Name: 5-(4-azidophenyl)-3-(o-tolylsulfonylamino)thiophene-2-carboxylic acid CAS Name: 5-(4-azidophenyl)-3-[(2-methylphenyl)sulfonylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-azidophenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid Traditional Name: 5-(4-azidophenyl)-3-(o-tolylsulfonylamino)-2-thenoic acid Formula: C18H14N4O4S2 MolecularWeight: 414.45816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)N=[N+]=[N-])C(=O)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)N=[N+]=[N-])C(=O)O

InChI

InChI=1S/C18H14N4O4S2/c1-11-4-2-3-5-16(11)28(25,26)21-14-10-15(27-17(14)18(23)24)12-6-8-13(9-7-12)20-22-19/h2-10,21H,1H3,(H,23,24)