5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(methyl)amino]-N-homoveratryl-benzothiophene-2-carboxamide Formula: C26H25BrN2O5S2 MolecularWeight: 589.5211

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(C=C1)SC(=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CN(C1=CC2=C(C=C1)SC(=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H25BrN2O5S2/c1-29(36(31,32)21-8-5-19(27)6-9-21)20-7-11-24-18(15-20)16-25(35-24)26(30)28-13-12-17-4-10-22(33-2)23(14-17)34-3/h4-11,14-16H,12-13H2,1-3H3,(H,28,30)