3-(azepan-1-ylcarbonyl)-N-(2-ethylsulfanylphenyl)-4-methoxy-benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(2-ethylsulfanylphenyl)-4-methoxy-benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(2-ethylsulfanylphenyl)-4-methoxy-benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-[2-(ethylthio)phenyl]-4-methoxybenzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(2-ethylsulfanylphenyl)-4-methoxybenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-[2-(ethylthio)phenyl]-4-methoxy-benzenesulfonamide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

Isomeric SMILES

CCSC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O4S2/c1-3-29-21-11-7-6-10-19(21)23-30(26,27)17-12-13-20(28-2)18(16-17)22(25)24-14-8-4-5-9-15-24/h6-7,10-13,16,23H,3-5,8-9,14-15H2,1-2H3