3-(azepan-1-ylcarbonyl)-N-(2-chlorophenyl)-N-prop-2-enyl-benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(2-chlorophenyl)-N-prop-2-enyl-benzenesulfonamide Openeye Name: N-allyl-3-(azepane-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-(2-chlorophenyl)-N-prop-2-enylbenzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(2-chlorophenyl)-N-prop-2-enylbenzenesulfonamide Traditional Name: N-allyl-3-(azepane-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide Formula: C22H25ClN2O3S MolecularWeight: 432.9635

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=CC=CC=C1Cl)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCCCC3

Isomeric SMILES

C=CCN(C1=CC=CC=C1Cl)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H25ClN2O3S/c1-2-14-25(21-13-6-5-12-20(21)23)29(27,28)19-11-9-10-18(17-19)22(26)24-15-7-3-4-8-16-24/h2,5-6,9-13,17H,1,3-4,7-8,14-16H2