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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(2H-1,2,3,4-tetrazol-5-yl)benzenecarboximidate Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2H-tetrazol-5-yl)benzenecarboximidate CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(2H-tetrazol-5-yl)benzenecarboximidate IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2H-tetrazol-5-yl)benzenecarboximidate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2H-tetrazol-5-yl)benzenecarboximidate Formula: C14H16ClN6O3S- MolecularWeight: 383.83324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN6O3S/c15-11-6-5-10(13(22)16-14-17-19-20-18-14)9-12(11)25(23,24)21-7-3-1-2-4-8-21/h5-6,9H,1-4,7-8H2,(H2,16,17,18,19,20,22)/p-1