methyl 4-[[3-[[(2E)-2-(3-chloranyl-4-methylsulfonyl-phenyl)-2-cyclopentyloxyimino-ethanoyl]amino]pyrazol-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[3-[[(2E)-2-(3-chloranyl-4-methylsulfonyl-phenyl)-2-cyclopentyloxyimino-ethanoyl]amino]pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[3-[[(2E)-2-(3-chloro-4-methylsulfonyl-phenyl)-2-(cyclopentoxyimino)acetyl]amino]pyrazol-1-yl]methyl]benzoate CAS Name: 4-[[3-[[(2E)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclopentyloxyimino-1-oxoethyl]amino]-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[[(2E)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclopentyloxyiminoacetyl]amino]pyrazol-1-yl]methyl]benzoate Traditional Name: 4-[[3-[[(2E)-2-(3-chloro-4-mesyl-phenyl)-2-cyclopentyloximino-acetyl]amino]pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C26H27ClN4O6S MolecularWeight: 559.03378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C(=NOC3CCCC3)C4=CC(=C(C=C4)S(=O)(=O)C)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)/C(=N/OC3CCCC3)/C4=CC(=C(C=C4)S(=O)(=O)C)Cl

InChI

InChI=1S/C26H27ClN4O6S/c1-36-26(33)18-9-7-17(8-10-18)16-31-14-13-23(29-31)28-25(32)24(30-37-20-5-3-4-6-20)19-11-12-22(21(27)15-19)38(2,34)35/h7-15,20H,3-6,16H2,1-2H3,(H,28,29,32)/b30-24+