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

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(ethyl)amino]-N-homoveratryl-benzothiophene-2-carboxamide Formula: C27H27BrN2O5S2 MolecularWeight: 603.54768

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Descriptors Computed from Structure

Canonical SMILES:

CCN(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

CCN(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/C27H27BrN2O5S2/c1-4-30(37(32,33)22-9-6-20(28)7-10-22)21-8-12-25-19(16-21)17-26(36-25)27(31)29-14-13-18-5-11-23(34-2)24(15-18)35-3/h5-12,15-17H,4,13-14H2,1-3H3,(H,29,31)