dimethyl 3-[4-[3-(2-phenylethenylsulfonyl)propanoylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[3-(2-phenylethenylsulfonyl)propanoylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-(3-styrylsulfonylpropanoylamino)pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[1-oxo-3-(2-phenylethenylsulfonyl)propyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[3-(2-phenylethenylsulfonyl)propanoylamino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-(3-styrylsulfonylpropanoylamino)pyrazol-1-yl]glutaric acid dimethyl ester Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)CCS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)CCS(=O)(=O)C=CC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O7S/c1-30-20(26)12-18(13-21(27)31-2)24-15-17(14-22-24)23-19(25)9-11-32(28,29)10-8-16-6-4-3-5-7-16/h3-8,10,14-15,18H,9,11-13H2,1-2H3,(H,23,25)