1-(4-methylphenyl)sulfonyl-N-[(E)-1-(5-nitro-1,2,3,4-tetrazol-2-yl)propan-2-ylideneamino]piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[(E)-1-(5-nitro-1,2,3,4-tetrazol-2-yl)propan-2-ylideneamino]piperidine-4-carboxamide Openeye Name: N-[(E)-[1-methyl-2-(5-nitrotetrazol-2-yl)ethylidene]amino]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[(E)-1-(5-nitro-2-tetrazolyl)propan-2-ylideneamino]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[(E)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]piperidine-4-carboxamide Traditional Name: N-[(E)-[1-methyl-2-(5-nitrotetrazol-2-yl)ethylidene]amino]-1-tosyl-isonipecotamide Formula: C17H22N8O5S MolecularWeight: 450.47218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NN=C(C)CN3N=C(N=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N/N=C(\C)/CN3N=C(N=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N8O5S/c1-12-3-5-15(6-4-12)31(29,30)23-9-7-14(8-10-23)16(26)19-18-13(2)11-24-21-17(20-22-24)25(27)28/h3-6,14H,7-11H2,1-2H3,(H,19,26)/b18-13+