3-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid Openeye Name: 3-[(4-ethylphenyl)methyl-(3-pyridylmethyl)sulfamoyl]thiophene-2-carboxylic acid CAS Name: 3-[(4-ethylphenyl)methyl-(3-pyridinylmethyl)sulfamoyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid Traditional Name: 3-[(4-ethylbenzyl)-(3-pyridylmethyl)sulfamoyl]-2-thenoic acid Formula: C20H20N2O4S2 MolecularWeight: 416.5138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(CC2=CN=CC=C2)S(=O)(=O)C3=C(SC=C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN(CC2=CN=CC=C2)S(=O)(=O)C3=C(SC=C3)C(=O)O

InChI

InChI=1S/C20H20N2O4S2/c1-2-15-5-7-16(8-6-15)13-22(14-17-4-3-10-21-12-17)28(25,26)18-9-11-27-19(18)20(23)24/h3-12H,2,13-14H2,1H3,(H,23,24)