[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-(2-methyl-5-nitro-phenyl)sulfonyloxybenzoate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-(2-methyl-5-nitro-phenyl)sulfonyloxybenzoate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 4-(2-methyl-5-nitro-phenyl)sulfonyloxybenzoate CAS Name: 4-(2-methyl-5-nitrophenyl)sulfonyloxybenzoic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(2-methyl-5-nitrophenyl)sulfonyloxybenzoate Traditional Name: 4-(2-methyl-5-nitro-phenyl)sulfonyloxybenzoic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C23H26N2O8S MolecularWeight: 490.52614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C23H26N2O8S/c1-15-10-16(2)13-24(12-15)22(26)14-32-23(27)18-5-8-20(9-6-18)33-34(30,31)21-11-19(25(28)29)7-4-17(21)3/h4-9,11,15-16H,10,12-14H2,1-3H3