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

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-(3-nitrophenyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-(3-nitrophenyl)benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(methyl)amino]-N-(3-nitrophenyl)benzothiophene-2-carboxamide Formula: C22H16BrN3O5S2 MolecularWeight: 546.41354

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(C=C1)SC(=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CN(C1=CC2=C(C=C1)SC(=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H16BrN3O5S2/c1-25(33(30,31)19-8-5-15(23)6-9-19)17-7-10-20-14(11-17)12-21(32-20)22(27)24-16-3-2-4-18(13-16)26(28)29/h2-13H,1H3,(H,24,27)