4-chloranyl-N-(2-oxidanylideneazepan-3-yl)-N-[phenyl(2H-1,2,3-triazol-4-yl)methyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(2-oxidanylideneazepan-3-yl)-N-[phenyl(2H-1,2,3-triazol-4-yl)methyl]benzenesulfonamide Openeye Name: 4-chloro-N-(2-oxoazepan-3-yl)-N-[phenyl(2H-triazol-4-yl)methyl]benzenesulfonamide CAS Name: 4-chloro-N-(2-oxo-3-azepanyl)-N-[phenyl(2H-triazol-4-yl)methyl]benzenesulfonamide IUPAC Name: 4-chloro-N-(2-oxoazepan-3-yl)-N-[phenyl(2H-triazol-4-yl)methyl]benzenesulfonamide Traditional Name: 4-chloro-N-(2-ketoazepan-3-yl)-N-[phenyl(2H-triazol-4-yl)methyl]benzenesulfonamide Formula: C21H22ClN5O3S MolecularWeight: 459.94908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(C(C2=CC=CC=C2)C3=NNN=C3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)N(C(C2=CC=CC=C2)C3=NNN=C3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN5O3S/c22-16-9-11-17(12-10-16)31(29,30)27(19-8-4-5-13-23-21(19)28)20(18-14-24-26-25-18)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,19-20H,4-5,8,13H2,(H,23,28)(H,24,25,26)