5-[(3-cyanophenyl)methyl]-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-[(3-cyanophenyl)methyl]-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid Openeye Name: 5-[(3-cyanophenyl)methyl]-3-(o-tolylsulfonylamino)thiophene-2-carboxylic acid CAS Name: 5-[(3-cyanophenyl)methyl]-3-[(2-methylphenyl)sulfonylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-[(3-cyanophenyl)methyl]-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid Traditional Name: 5-(3-cyanobenzyl)-3-(o-tolylsulfonylamino)-2-thenoic acid Formula: C20H16N2O4S2 MolecularWeight: 412.48204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC2=C(SC(=C2)CC3=CC=CC(=C3)C#N)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC2=C(SC(=C2)CC3=CC=CC(=C3)C#N)C(=O)O

InChI

InChI=1S/C20H16N2O4S2/c1-13-5-2-3-8-18(13)28(25,26)22-17-11-16(27-19(17)20(23)24)10-14-6-4-7-15(9-14)12-21/h2-9,11,22H,10H2,1H3,(H,23,24)