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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-(2H-1,2,3,4-tetrazol-5-yl)benzenecarboximidate Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-(2H-tetrazol-5-yl)benzenecarboximidate CAS Name: 3-(1-azepanylsulfonyl)-4-methyl-N-(2H-tetrazol-5-yl)benzenecarboximidate IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-(2H-tetrazol-5-yl)benzenecarboximidate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-(2H-tetrazol-5-yl)benzenecarboximidate Formula: C15H19N6O3S- MolecularWeight: 363.41476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=NC2=NNN=N2)[O-])S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=NC2=NNN=N2)[O-])S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C15H20N6O3S/c1-11-6-7-12(14(22)16-15-17-19-20-18-15)10-13(11)25(23,24)21-8-4-2-3-5-9-21/h6-7,10H,2-5,8-9H2,1H3,(H2,16,17,18,19,20,22)/p-1