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

Systemtic Name: 1-methylsulfonyl-4-[4-nitro-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]phenyl]piperazine Openeye Name: 1-methylsulfonyl-4-[4-nitro-3-(1-phenyltetrazol-5-yl)sulfanyl-phenyl]piperazine CAS Name: 1-methylsulfonyl-4-[4-nitro-3-[(1-phenyl-5-tetrazolyl)thio]phenyl]piperazine IUPAC Name: 1-methylsulfonyl-4-[4-nitro-3-(1-phenyltetrazol-5-yl)sulfanylphenyl]piperazine Traditional Name: 1-mesyl-4-[4-nitro-3-[(1-phenyltetrazol-5-yl)thio]phenyl]piperazine Formula: C18H19N7O4S2 MolecularWeight: 461.51796

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H19N7O4S2/c1-31(28,29)23-11-9-22(10-12-23)15-7-8-16(25(26)27)17(13-15)30-18-19-20-21-24(18)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3