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

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-cyclooctyl-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-cyclooctyl-benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-methylamino]-N-cyclooctyl-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-methylamino]-N-cyclooctyl-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(methyl)amino]-N-cyclooctyl-benzothiophene-2-carboxamide Formula: C24H27BrN2O3S2 MolecularWeight: 535.51678

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(C=C1)SC(=C2)C(=O)NC3CCCCCCC3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CN(C1=CC2=C(C=C1)SC(=C2)C(=O)NC3CCCCCCC3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H27BrN2O3S2/c1-27(32(29,30)21-12-9-18(25)10-13-21)20-11-14-22-17(15-20)16-23(31-22)24(28)26-19-7-5-3-2-4-6-8-19/h9-16,19H,2-8H2,1H3,(H,26,28)