4-piperidin-1-ylsulfonyl-N-(2H-1,2,3,4-tetrazol-5-yl)benzenecarboximidate

Systemtic Name: 4-piperidin-1-ylsulfonyl-N-(2H-1,2,3,4-tetrazol-5-yl)benzenecarboximidate Openeye Name: 4-(1-piperidylsulfonyl)-N-(2H-tetrazol-5-yl)benzenecarboximidate CAS Name: 4-(1-piperidinylsulfonyl)-N-(2H-tetrazol-5-yl)benzenecarboximidate IUPAC Name: 4-piperidin-1-ylsulfonyl-N-(2H-tetrazol-5-yl)benzenecarboximidate Traditional Name: 4-piperidinosulfonyl-N-(2H-tetrazol-5-yl)benzenecarboximidate Formula: C13H15N6O3S- MolecularWeight: 335.3616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=NC3=NNN=N3)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=NC3=NNN=N3)[O-]

InChI

InChI=1S/C13H16N6O3S/c20-12(14-13-15-17-18-16-13)10-4-6-11(7-5-10)23(21,22)19-8-2-1-3-9-19/h4-7H,1-3,8-9H2,(H2,14,15,16,17,18,20)/p-1