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

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-phenethyl-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-phenethyl-benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-phenethyl-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-phenethyl-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(ethyl)amino]-N-phenethyl-benzothiophene-2-carboxamide Formula: C25H23BrN2O3S2 MolecularWeight: 543.49572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrN2O3S2/c1-2-28(33(30,31)22-11-8-20(26)9-12-22)21-10-13-23-19(16-21)17-24(32-23)25(29)27-15-14-18-6-4-3-5-7-18/h3-13,16-17H,2,14-15H2,1H3,(H,27,29)