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

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)-1-benzothiophen-5-yl]-N-ethyl-4-methoxy-benzenesulfonamide Openeye Name: N-[2-(azepane-1-carbonyl)benzothiophen-5-yl]-N-ethyl-4-methoxy-benzenesulfonamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]-1-benzothiophen-5-yl]-N-ethyl-4-methoxybenzenesulfonamide IUPAC Name: N-[2-(azepane-1-carbonyl)-1-benzothiophen-5-yl]-N-ethyl-4-methoxybenzenesulfonamide Traditional Name: N-[2-(azepane-1-carbonyl)benzothiophen-5-yl]-N-ethyl-4-methoxy-benzenesulfonamide Formula: C24H28N2O4S2 MolecularWeight: 472.62012

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4S2/c1-3-26(32(28,29)21-11-9-20(30-2)10-12-21)19-8-13-22-18(16-19)17-23(31-22)24(27)25-14-6-4-5-7-15-25/h8-13,16-17H,3-7,14-15H2,1-2H3