methyl (E)-3-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]prop-2-enoate Openeye Name: methyl (E)-3-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]prop-2-enoate CAS Name: (E)-3-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)-3-pyrazolyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-(cyclohexylmethyl)-5-(4-mesylphenyl)pyrazol-3-yl]acrylic acid methyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)CC3CCCCC3

Isomeric SMILES

COC(=O)/C=C/C1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)CC3CCCCC3

InChI

InChI=1S/C21H26N2O4S/c1-27-21(24)13-10-18-14-20(17-8-11-19(12-9-17)28(2,25)26)23(22-18)15-16-6-4-3-5-7-16/h8-14,16H,3-7,15H2,1-2H3/b13-10+