N-(2-aminophenyl)-5-[[(4-methylphenyl)sulfonylamino]methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2-aminophenyl)-5-[[(4-methylphenyl)sulfonylamino]methyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(2-aminophenyl)-5-[(p-tolylsulfonylamino)methyl]benzothiophene-2-carboxamide CAS Name: N-(2-aminophenyl)-5-[[(4-methylphenyl)sulfonylamino]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-aminophenyl)-5-[[(4-methylphenyl)sulfonylamino]methyl]-1-benzothiophene-2-carboxamide Traditional Name: N-(2-aminophenyl)-5-[(tosylamino)methyl]benzothiophene-2-carboxamide Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC3=C(C=C2)SC(=C3)C(=O)NC4=CC=CC=C4N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC3=C(C=C2)SC(=C3)C(=O)NC4=CC=CC=C4N

InChI

InChI=1S/C23H21N3O3S2/c1-15-6-9-18(10-7-15)31(28,29)25-14-16-8-11-21-17(12-16)13-22(30-21)23(27)26-20-5-3-2-4-19(20)24/h2-13,25H,14,24H2,1H3,(H,26,27)