5-(azepan-1-ylcarbonyl)-2-chloranyl-N-phenyl-N-prop-2-enyl-benzenesulfonamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-2-chloranyl-N-phenyl-N-prop-2-enyl-benzenesulfonamide Openeye Name: N-allyl-5-(azepane-1-carbonyl)-2-chloro-N-phenyl-benzenesulfonamide CAS Name: 5-[1-azepanyl(oxo)methyl]-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide IUPAC Name: 5-(azepane-1-carbonyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide Traditional Name: N-allyl-5-(azepane-1-carbonyl)-2-chloro-N-phenyl-benzenesulfonamide Formula: C22H25ClN2O3S MolecularWeight: 432.9635

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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