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

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-5-[(4-bromophenyl)sulfonyl-methyl-amino]benzothiophene-2-carboxamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-5-[(4-bromophenyl)sulfonyl-methylamino]-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-5-[(4-bromophenyl)sulfonyl-methylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-5-[brosyl(methyl)amino]benzothiophene-2-carboxamide Formula: C29H20BrClN2O4S2 MolecularWeight: 639.9671

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(C=C1)SC(=C2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CN(C1=CC2=C(C=C1)SC(=C2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C29H20BrClN2O4S2/c1-33(39(36,37)23-11-7-20(30)8-12-23)22-10-14-26-19(15-22)16-27(38-26)29(35)32-25-13-9-21(31)17-24(25)28(34)18-5-3-2-4-6-18/h2-17H,1H3,(H,32,35)