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

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-(3-pyridylmethyl)benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-pyridinylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(methyl)amino]-N-(3-pyridylmethyl)benzothiophene-2-carboxamide Formula: C22H18BrN3O3S2 MolecularWeight: 516.43062

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(C=C1)SC(=C2)C(=O)NCC3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CN(C1=CC2=C(C=C1)SC(=C2)C(=O)NCC3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrN3O3S2/c1-26(31(28,29)19-7-4-17(23)5-8-19)18-6-9-20-16(11-18)12-21(30-20)22(27)25-14-15-3-2-10-24-13-15/h2-13H,14H2,1H3,(H,25,27)