N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-methoxyphenyl)-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-methoxyphenyl)-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(4-methoxyphenyl)-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(4-methoxyphenyl)-4-methyl-3-nitro-benzenesulfonamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6S/c1-17-7-12-20(15-21(17)25(27)28)32(29,30)24(18-8-10-19(31-2)11-9-18)16-22(26)23-13-5-3-4-6-14-23/h7-12,15H,3-6,13-14,16H2,1-2H3