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

Systemtic Name: dimethyl 3-[4-[3-(phenylsulfonyl)propanoylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[3-(benzenesulfonyl)propanoylamino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[3-(benzenesulfonyl)propanoylamino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-(3-besylpropanoylamino)pyrazol-1-yl]glutaric acid dimethyl ester Formula: C19H23N3O7S MolecularWeight: 437.46682

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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)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O7S/c1-28-18(24)10-15(11-19(25)29-2)22-13-14(12-20-22)21-17(23)8-9-30(26,27)16-6-4-3-5-7-16/h3-7,12-13,15H,8-11H2,1-2H3,(H,21,23)