methyl 3-[[4-[(phenylmethyl)-propan-2-yl-sulfamoyl]phenyl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-[(phenylmethyl)-propan-2-yl-sulfamoyl]phenyl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[4-[benzyl(isopropyl)sulfamoyl]benzoyl]amino]benzothiophene-2-carboxylate CAS Name: 3-[[oxo-[4-[(phenylmethyl)-propan-2-ylsulfamoyl]phenyl]methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[[4-[benzyl(isopropyl)sulfamoyl]benzoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C27H26N2O5S2 MolecularWeight: 522.63574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(SC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(SC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C27H26N2O5S2/c1-18(2)29(17-19-9-5-4-6-10-19)36(32,33)21-15-13-20(14-16-21)26(30)28-24-22-11-7-8-12-23(22)35-25(24)27(31)34-3/h4-16,18H,17H2,1-3H3,(H,28,30)