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

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(3-nitrophenyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(3-nitrophenyl)benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-(3-nitrophenyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-(3-nitrophenyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(ethyl)amino]-N-(3-nitrophenyl)benzothiophene-2-carboxamide Formula: C23H18BrN3O5S2 MolecularWeight: 560.44012

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Descriptors Computed from Structure

Canonical SMILES:

CCN(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

CCN(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/C23H18BrN3O5S2/c1-2-26(34(31,32)20-9-6-16(24)7-10-20)18-8-11-21-15(12-18)13-22(33-21)23(28)25-17-4-3-5-19(14-17)27(29)30/h3-14H,2H2,1H3,(H,25,28)