5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(4-phenylbutan-2-yl)-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(4-phenylbutan-2-yl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(1-methyl-3-phenyl-propyl)benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-(4-phenylbutan-2-yl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-(4-phenylbutan-2-yl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(ethyl)amino]-N-(1-methyl-3-phenyl-propyl)benzothiophene-2-carboxamide Formula: C27H27BrN2O3S2 MolecularWeight: 571.54888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NC(C)CCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NC(C)CCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H27BrN2O3S2/c1-3-30(35(32,33)24-14-11-22(28)12-15-24)23-13-16-25-21(17-23)18-26(34-25)27(31)29-19(2)9-10-20-7-5-4-6-8-20/h4-8,11-19H,3,9-10H2,1-2H3,(H,29,31)