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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O6S/c1-16-5-4-12-23(14-16)22(26)15-24(18-7-9-19(31-3)10-8-18)32(29,30)20-11-6-17(2)21(13-20)25(27)28/h6-11,13,16H,4-5,12,14-15H2,1-3H3