5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-(3-methoxypropyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-(3-methoxypropyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-(3-methoxypropyl)benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(methyl)amino]-N-(3-methoxypropyl)benzothiophene-2-carboxamide Formula: C20H21BrN2O4S2 MolecularWeight: 497.42574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(C=C1)SC(=C2)C(=O)NCCCOC)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN(C1=CC2=C(C=C1)SC(=C2)C(=O)NCCCOC)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN2O4S2/c1-23(29(25,26)17-7-4-15(21)5-8-17)16-6-9-18-14(12-16)13-19(28-18)20(24)22-10-3-11-27-2/h4-9,12-13H,3,10-11H2,1-2H3,(H,22,24)