4-[4-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-[(1-cyclohexyl-5-tetrazolyl)thio]-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-[(1-cyclohexyltetrazol-5-yl)thio]-3-nitro-phenyl]sulfonylmorpholine Formula: C17H22N6O5S2 MolecularWeight: 454.52378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=N2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O5S2/c24-23(25)15-12-14(30(26,27)21-8-10-28-11-9-21)6-7-16(15)29-17-18-19-20-22(17)13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2