N-[2-(2,6-dimethylpiperidin-1-yl)carbonyl-4,5-dimethoxy-phenyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[2-(2,6-dimethylpiperidin-1-yl)carbonyl-4,5-dimethoxy-phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[2-(2,6-dimethylpiperidine-1-carbonyl)-4,5-dimethoxy-phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[2-[(2,6-dimethyl-1-piperidinyl)-oxomethyl]-4,5-dimethoxyphenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[2-(2,6-dimethylpiperidine-1-carbonyl)-4,5-dimethoxyphenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[2-(2,6-dimethylpiperidine-1-carbonyl)-4,5-dimethoxy-phenyl]-2-nitro-benzenesulfonamide Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)C2=CC(=C(C=C2NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC)OC)C

Isomeric SMILES

CC1CCCC(N1C(=O)C2=CC(=C(C=C2NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC)OC)C

InChI

InChI=1S/C22H27N3O7S/c1-14-8-7-9-15(2)24(14)22(26)16-12-19(31-3)20(32-4)13-17(16)23-33(29,30)21-11-6-5-10-18(21)25(27)28/h5-6,10-15,23H,7-9H2,1-4H3