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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2H-1,2,3,4-tetrazol-5-yl)benzenecarboximidate Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2H-tetrazol-5-yl)benzenecarboximidate CAS Name: 4-(1-azepanylsulfonyl)-N-(2H-tetrazol-5-yl)benzenecarboximidate IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2H-tetrazol-5-yl)benzenecarboximidate Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(2H-tetrazol-5-yl)benzenecarboximidate Formula: C14H17N6O3S- MolecularWeight: 349.38818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=NC3=NNN=N3)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=NC3=NNN=N3)[O-]

InChI

InChI=1S/C14H18N6O3S/c21-13(15-14-16-18-19-17-14)11-5-7-12(8-6-11)24(22,23)20-9-3-1-2-4-10-20/h5-8H,1-4,9-10H2,(H2,15,16,17,18,19,21)/p-1