1-methyl-4-[4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-phenyl]sulfonyl-piperazine

Systemtic Name: 1-methyl-4-[4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-phenyl]sulfonyl-piperazine Openeye Name: 1-methyl-4-[4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-phenyl]sulfonyl-piperazine CAS Name: 1-methyl-4-[4-[(1-methyl-5-tetrazolyl)thio]-3-nitrophenyl]sulfonylpiperazine IUPAC Name: 1-methyl-4-[4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrophenyl]sulfonylpiperazine Traditional Name: 1-methyl-4-[4-[(1-methyltetrazol-5-yl)thio]-3-nitro-phenyl]sulfonyl-piperazine Formula: C13H17N7O4S2 MolecularWeight: 399.44858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=NN3C)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=NN3C)[N+](=O)[O-]

InChI

InChI=1S/C13H17N7O4S2/c1-17-5-7-19(8-6-17)26(23,24)10-3-4-12(11(9-10)20(21)22)25-13-14-15-16-18(13)2/h3-4,9H,5-8H2,1-2H3