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

Systemtic Name: methyl 3-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-ethylphenyl)methyl-(3-pyridylmethyl)sulfamoyl]thiophene-2-carboxylate CAS Name: 3-[(4-ethylphenyl)methyl-(3-pyridinylmethyl)sulfamoyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]thiophene-2-carboxylate Traditional Name: 3-[(4-ethylbenzyl)-(3-pyridylmethyl)sulfamoyl]thiophene-2-carboxylic acid methyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S2/c1-3-16-6-8-17(9-7-16)14-23(15-18-5-4-11-22-13-18)29(25,26)19-10-12-28-20(19)21(24)27-2/h4-13H,3,14-15H2,1-2H3