N-(1-methylsulfonylpiperidin-4-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine

Systemtic Name: N-(1-methylsulfonylpiperidin-4-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine Openeye Name: N-(1-methylsulfonyl-4-piperidyl)-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: N-(1-methylsulfonyl-4-piperidinyl)-4-nitro-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-(1-methylsulfonylpiperidin-4-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: (1-mesyl-4-piperidyl)-(7-nitrobenzofurazan-4-yl)amine Formula: C12H15N5O5S MolecularWeight: 341.343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)NC2=CC=C(C3=NON=C23)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)NC2=CC=C(C3=NON=C23)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O5S/c1-23(20,21)16-6-4-8(5-7-16)13-9-2-3-10(17(18)19)12-11(9)14-22-15-12/h2-3,8,13H,4-7H2,1H3