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

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-cyclooctyl-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-cyclooctyl-benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclooctyl-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-cyclooctyl-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(ethyl)amino]-N-cyclooctyl-benzothiophene-2-carboxamide Formula: C25H29BrN2O3S2 MolecularWeight: 549.54336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29BrN2O3S2/c1-2-28(33(30,31)22-13-10-19(26)11-14-22)21-12-15-23-18(16-21)17-24(32-23)25(29)27-20-8-6-4-3-5-7-9-20/h10-17,20H,2-9H2,1H3,(H,27,29)