N-(2-aminophenyl)-5-[[(4-methoxyphenyl)methyl-(phenylmethyl)sulfonyl-amino]methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2-aminophenyl)-5-[[(4-methoxyphenyl)methyl-(phenylmethyl)sulfonyl-amino]methyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(2-aminophenyl)-5-[[benzylsulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]benzothiophene-2-carboxamide CAS Name: N-(2-aminophenyl)-5-[[(4-methoxyphenyl)methyl-(phenylmethyl)sulfonylamino]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-aminophenyl)-5-[[benzylsulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]-1-benzothiophene-2-carboxamide Traditional Name: N-(2-aminophenyl)-5-[[benzylsulfonyl(p-anisyl)amino]methyl]benzothiophene-2-carboxamide Formula: C31H29N3O4S2 MolecularWeight: 571.70966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)SC(=C3)C(=O)NC4=CC=CC=C4N)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)SC(=C3)C(=O)NC4=CC=CC=C4N)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C31H29N3O4S2/c1-38-26-14-11-22(12-15-26)19-34(40(36,37)21-23-7-3-2-4-8-23)20-24-13-16-29-25(17-24)18-30(39-29)31(35)33-28-10-6-5-9-27(28)32/h2-18H,19-21,32H2,1H3,(H,33,35)