2-(3,5-dimethylpiperidin-1-yl)-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide

Systemtic Name: 2-(3,5-dimethylpiperidin-1-yl)-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Openeye Name: 2-(3,5-dimethyl-1-piperidyl)-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide CAS Name: 2-(3,5-dimethyl-1-piperidinyl)-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide IUPAC Name: 2-(3,5-dimethylpiperidin-1-yl)-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide Traditional Name: 2-(3,5-dimethylpiperidino)-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC=C3OC)C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC=C3OC)C

InChI

InChI=1S/C20H25N3O5S/c1-14-10-15(2)13-22(12-14)18-9-8-16(23(24)25)11-20(18)29(26,27)21-17-6-4-5-7-19(17)28-3/h4-9,11,14-15,21H,10,12-13H2,1-3H3