3-(azepan-1-ylcarbonyl)-4-methoxy-N-phenethyl-benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-4-methoxy-N-phenethyl-benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-4-methoxy-N-phenethyl-benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-4-methoxy-N-phenethylbenzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-4-methoxy-N-phenethylbenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-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)S(=O)(=O)NCCC2=CC=CC=C2)C(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O4S/c1-28-21-12-11-19(17-20(21)22(25)24-15-7-2-3-8-16-24)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