N-[2-(azepan-1-ylcarbonyl)-1-benzothiophen-5-yl]-4-bromanyl-N-ethyl-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)-1-benzothiophen-5-yl]-4-bromanyl-N-ethyl-benzenesulfonamide Openeye Name: N-[2-(azepane-1-carbonyl)benzothiophen-5-yl]-4-bromo-N-ethyl-benzenesulfonamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]-1-benzothiophen-5-yl]-4-bromo-N-ethylbenzenesulfonamide IUPAC Name: N-[2-(azepane-1-carbonyl)-1-benzothiophen-5-yl]-4-bromo-N-ethylbenzenesulfonamide Traditional Name: N-[2-(azepane-1-carbonyl)benzothiophen-5-yl]-4-bromo-N-ethyl-benzenesulfonamide Formula: C23H25BrN2O3S2 MolecularWeight: 521.4902

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)N3CCCCCC3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)N3CCCCCC3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H25BrN2O3S2/c1-2-26(31(28,29)20-10-7-18(24)8-11-20)19-9-12-21-17(15-19)16-22(30-21)23(27)25-13-5-3-4-6-14-25/h7-12,15-16H,2-6,13-14H2,1H3