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

Systemtic Name: 5-[(4-chlorophenyl)methyl-methylsulfonyl-amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-chlorophenyl)methyl-methylsulfonyl-amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzothiophene-2-carboxamide CAS Name: 5-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide Traditional Name: 5-[(4-chlorobenzyl)-mesyl-amino]-N-homoveratryl-benzothiophene-2-carboxamide Formula: C27H27ClN2O5S2 MolecularWeight: 559.09668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(S2)C=CC(=C3)N(CC4=CC=C(C=C4)Cl)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(S2)C=CC(=C3)N(CC4=CC=C(C=C4)Cl)S(=O)(=O)C)OC

InChI

InChI=1S/C27H27ClN2O5S2/c1-34-23-10-6-18(14-24(23)35-2)12-13-29-27(31)26-16-20-15-22(9-11-25(20)36-26)30(37(3,32)33)17-19-4-7-21(28)8-5-19/h4-11,14-16H,12-13,17H2,1-3H3,(H,29,31)