1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate

Systemtic Name: 1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate Openeye Name: 1-(4-morpholinosulfonyl-2-nitro-phenyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate CAS Name: 1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-N-(1H-1,2,4-triazol-5-yl)-4-piperidinecarboximidate IUPAC Name: 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate Traditional Name: 1-(4-morpholinosulfonyl-2-nitro-phenyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate Formula: C18H22N7O6S- MolecularWeight: 464.47558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=NC2=NC=NN2)[O-])C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=NC2=NC=NN2)[O-])C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C18H23N7O6S/c26-17(21-18-19-12-20-22-18)13-3-5-23(6-4-13)15-2-1-14(11-16(15)25(27)28)32(29,30)24-7-9-31-10-8-24/h1-2,11-13H,3-10H2,(H2,19,20,21,22,26)/p-1