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

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 2-chloranyl-4-methylsulfonyl-3-[(5-oxidanylidene-4-pentyl-1,2,3,4-tetrazol-1-yl)methyl]benzoate Openeye Name: (3-oxocyclohexen-1-yl) 2-chloro-4-methylsulfonyl-3-[(5-oxo-4-pentyl-tetrazol-1-yl)methyl]benzoate CAS Name: 2-chloro-4-methylsulfonyl-3-[(5-oxo-4-pentyl-1-tetrazolyl)methyl]benzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 2-chloro-4-methylsulfonyl-3-[(5-oxo-4-pentyltetrazol-1-yl)methyl]benzoate Traditional Name: 3-[(4-amyl-5-keto-tetrazol-1-yl)methyl]-2-chloro-4-mesyl-benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C21H25ClN4O6S MolecularWeight: 496.9644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)N(N=N1)CC2=C(C=CC(=C2Cl)C(=O)OC3=CC(=O)CCC3)S(=O)(=O)C

Isomeric SMILES

CCCCCN1C(=O)N(N=N1)CC2=C(C=CC(=C2Cl)C(=O)OC3=CC(=O)CCC3)S(=O)(=O)C

InChI

InChI=1S/C21H25ClN4O6S/c1-3-4-5-11-25-21(29)26(24-23-25)13-17-18(33(2,30)31)10-9-16(19(17)22)20(28)32-15-8-6-7-14(27)12-15/h9-10,12H,3-8,11,13H2,1-2H3