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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[methylsulfonyl(p-tolylmethyl)amino]benzothiophene-2-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-homoveratryl-5-[mesyl-(4-methylbenzyl)amino]benzothiophene-2-carboxamide Formula: C28H30N2O5S2 MolecularWeight: 538.6782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC)S(=O)(=O)C

InChI

InChI=1S/C28H30N2O5S2/c1-19-5-7-21(8-6-19)18-30(37(4,32)33)23-10-12-26-22(16-23)17-27(36-26)28(31)29-14-13-20-9-11-24(34-2)25(15-20)35-3/h5-12,15-17H,13-14,18H2,1-4H3,(H,29,31)