(3-oxidanylidenecyclohexen-1-yl) 4-chloranyl-3-[(4-methyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)methyl]-2-methylsulfonyl-benzoate

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 4-chloranyl-3-[(4-methyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)methyl]-2-methylsulfonyl-benzoate Openeye Name: (3-oxocyclohexen-1-yl) 4-chloro-3-[(4-methyl-5-oxo-tetrazol-1-yl)methyl]-2-methylsulfonyl-benzoate CAS Name: 4-chloro-3-[(4-methyl-5-oxo-1-tetrazolyl)methyl]-2-methylsulfonylbenzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 4-chloro-3-[(4-methyl-5-oxotetrazol-1-yl)methyl]-2-methylsulfonylbenzoate Traditional Name: 4-chloro-3-[(5-keto-4-methyl-tetrazol-1-yl)methyl]-2-mesyl-benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C17H17ClN4O6S MolecularWeight: 440.85808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N(N=N1)CC2=C(C=CC(=C2S(=O)(=O)C)C(=O)OC3=CC(=O)CCC3)Cl

Isomeric SMILES

CN1C(=O)N(N=N1)CC2=C(C=CC(=C2S(=O)(=O)C)C(=O)OC3=CC(=O)CCC3)Cl

InChI

InChI=1S/C17H17ClN4O6S/c1-21-17(25)22(20-19-21)9-13-14(18)7-6-12(15(13)29(2,26)27)16(24)28-11-5-3-4-10(23)8-11/h6-8H,3-5,9H2,1-2H3