N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-chloranyl-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-chloranyl-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-4-chloro-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-4-chloro-N-(2,4-dimethylphenyl)-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-4-chloro-N-(2,4-dimethylphenyl)-3-nitrobenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-4-chloro-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide Formula: C22H26ClN3O5S MolecularWeight: 479.97694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C22H26ClN3O5S/c1-16-7-10-20(17(2)13-16)25(15-22(27)24-11-5-3-4-6-12-24)32(30,31)18-8-9-19(23)21(14-18)26(28)29/h7-10,13-14H,3-6,11-12,15H2,1-2H3