(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C17H19ClN4O4S MolecularWeight: 410.87516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC3=C(SN=N3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC3=C(SN=N3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C17H19ClN4O4S/c1-10-5-11(2)8-21(7-10)14-4-3-12(6-15(14)22(24)25)17(23)26-9-13-16(18)27-20-19-13/h3-4,6,10-11H,5,7-9H2,1-2H3