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

Systemtic Name: 3-pyrrolidin-1-ylsulfonyl-N-(2H-1,2,3,4-tetrazol-5-yl)benzenecarboximidate Openeye Name: 3-pyrrolidin-1-ylsulfonyl-N-(2H-tetrazol-5-yl)benzenecarboximidate CAS Name: 3-(1-pyrrolidinylsulfonyl)-N-(2H-tetrazol-5-yl)benzenecarboximidate IUPAC Name: 3-pyrrolidin-1-ylsulfonyl-N-(2H-tetrazol-5-yl)benzenecarboximidate Traditional Name: 3-pyrrolidinosulfonyl-N-(2H-tetrazol-5-yl)benzenecarboximidate Formula: C12H13N6O3S- MolecularWeight: 321.33502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=NC3=NNN=N3)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=NC3=NNN=N3)[O-]

InChI

InChI=1S/C12H14N6O3S/c19-11(13-12-14-16-17-15-12)9-4-3-5-10(8-9)22(20,21)18-6-1-2-7-18/h3-5,8H,1-2,6-7H2,(H2,13,14,15,16,17,19)/p-1