5-(azepan-1-ylcarbonyl)-2-methoxy-N-phenethyl-benzenesulfonamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-2-methoxy-N-phenethyl-benzenesulfonamide Openeye Name: 5-(azepane-1-carbonyl)-2-methoxy-N-phenethyl-benzenesulfonamide CAS Name: 5-[1-azepanyl(oxo)methyl]-2-methoxy-N-phenethylbenzenesulfonamide IUPAC Name: 5-(azepane-1-carbonyl)-2-methoxy-N-phenethylbenzenesulfonamide Traditional Name: 5-(azepane-1-carbonyl)-2-methoxy-N-phenethyl-benzenesulfonamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCCCC2)S(=O)(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCCCC2)S(=O)(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O4S/c1-28-20-12-11-19(22(25)24-15-7-2-3-8-16-24)17-21(20)29(26,27)23-14-13-18-9-5-4-6-10-18/h4-6,9-12,17,23H,2-3,7-8,13-16H2,1H3