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

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-naphthalen-1-yl-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(1-naphthyl)benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-(1-naphthalenyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-naphthalen-1-yl-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(ethyl)amino]-N-(1-naphthyl)benzothiophene-2-carboxamide Formula: C27H21BrN2O3S2 MolecularWeight: 565.50124

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NC3=CC=CC4=CC=CC=C43)S(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NC3=CC=CC4=CC=CC=C43)S(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H21BrN2O3S2/c1-2-30(35(32,33)22-13-10-20(28)11-14-22)21-12-15-25-19(16-21)17-26(34-25)27(31)29-24-9-5-7-18-6-3-4-8-23(18)24/h3-17H,2H2,1H3,(H,29,31)