methyl 2-[[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]amino]benzothiophene-3-carboxylic acid methyl ester Formula: C23H20N4O5S2 MolecularWeight: 496.5587

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

COC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C23H20N4O5S2/c1-32-23(29)20-18-6-2-3-7-19(18)33-22(20)26-21(28)16-8-10-17(11-9-16)34(30,31)27(14-4-12-24)15-5-13-25/h2-3,6-11H,4-5,14-15H2,1H3,(H,26,28)