3-(azepan-1-ylcarbonyl)-4-chloranyl-N-(2-methoxyphenyl)-N-prop-2-enyl-benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-4-chloranyl-N-(2-methoxyphenyl)-N-prop-2-enyl-benzenesulfonamide Openeye Name: N-allyl-3-(azepane-1-carbonyl)-4-chloro-N-(2-methoxyphenyl)benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-4-chloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-4-chloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide Traditional Name: N-allyl-3-(azepane-1-carbonyl)-4-chloro-N-(2-methoxyphenyl)benzenesulfonamide Formula: C23H27ClN2O4S MolecularWeight: 462.98948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CC=C)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1N(CC=C)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCCCCC3

InChI

InChI=1S/C23H27ClN2O4S/c1-3-14-26(21-10-6-7-11-22(21)30-2)31(28,29)18-12-13-20(24)19(17-18)23(27)25-15-8-4-5-9-16-25/h3,6-7,10-13,17H,1,4-5,8-9,14-16H2,2H3