4-chloranyl-N-[(3-ethenylphenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(3-ethenylphenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: 4-chloro-N-(2-oxoazepan-3-yl)-N-[(3-vinylphenyl)methyl]benzenesulfonamide CAS Name: 4-chloro-N-[(3-ethenylphenyl)methyl]-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[(3-ethenylphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 4-chloro-N-(2-ketoazepan-3-yl)-N-(3-vinylbenzyl)benzenesulfonamide Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC(=CC=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C=CC1=CC(=CC=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O3S/c1-2-16-6-5-7-17(14-16)15-24(20-8-3-4-13-23-21(20)25)28(26,27)19-11-9-18(22)10-12-19/h2,5-7,9-12,14,20H,1,3-4,8,13,15H2,(H,23,25)