N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(5-chloranyl-2-methoxy-phenyl)-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(5-chloranyl-2-methoxy-phenyl)-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(5-chloro-2-methoxy-phenyl)-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(5-chloro-2-methoxy-phenyl)-4-methyl-3-nitro-benzenesulfonamide Formula: C22H26ClN3O6S MolecularWeight: 495.97634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O6S/c1-16-7-9-18(14-19(16)26(28)29)33(30,31)25(20-13-17(23)8-10-21(20)32-2)15-22(27)24-11-5-3-4-6-12-24/h7-10,13-14H,3-6,11-12,15H2,1-2H3