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

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazine Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-(1-phenyltetrazol-5-yl)piperazine CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-(1-phenyl-5-tetrazolyl)piperazine IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-(1-phenyltetrazol-5-yl)piperazine Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-(1-phenyltetrazol-5-yl)piperazine Formula: C18H19N7O4S MolecularWeight: 429.45296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H19N7O4S/c1-14-7-8-16(25(26)27)13-17(14)30(28,29)23-11-9-22(10-12-23)18-19-20-21-24(18)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3