methyl 3-[[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-phenyl-sulfamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-phenyl-sulfamoyl]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(benzylamino)-2-oxo-ethyl]-phenyl-sulfamoyl]thiophene-2-carboxylate CAS Name: 3-[[2-oxo-2-[(phenylmethyl)amino]ethyl]-phenylsulfamoyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(benzylamino)-2-oxoethyl]-phenylsulfamoyl]thiophene-2-carboxylate Traditional Name: 3-[[2-(benzylamino)-2-keto-ethyl]-phenyl-sulfamoyl]thiophene-2-carboxylic acid methyl ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N(CC(=O)NCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N(CC(=O)NCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S2/c1-28-21(25)20-18(12-13-29-20)30(26,27)23(17-10-6-3-7-11-17)15-19(24)22-14-16-8-4-2-5-9-16/h2-13H,14-15H2,1H3,(H,22,24)