5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-(4-butylphenyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-(4-butylphenyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-(4-butylphenyl)benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-methylamino]-N-(4-butylphenyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-methylamino]-N-(4-butylphenyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(methyl)amino]-N-(4-butylphenyl)benzothiophene-2-carboxamide Formula: C26H25BrN2O3S2 MolecularWeight: 557.5223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)N(C)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)N(C)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H25BrN2O3S2/c1-3-4-5-18-6-10-21(11-7-18)28-26(30)25-17-19-16-22(12-15-24(19)33-25)29(2)34(31,32)23-13-8-20(27)9-14-23/h6-17H,3-5H2,1-2H3,(H,28,30)