dimethyl 3-[4-[(2-methylsulfonylphenyl)sulfonylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(2-methylsulfonylphenyl)sulfonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(2-methylsulfonylphenyl)sulfonylamino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[(2-methylsulfonylphenyl)sulfonylamino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(2-methylsulfonylphenyl)sulfonylamino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[(2-mesylphenyl)sulfonylamino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C17H21N3O8S2 MolecularWeight: 459.49394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C17H21N3O8S2/c1-27-16(21)8-13(9-17(22)28-2)20-11-12(10-18-20)19-30(25,26)15-7-5-4-6-14(15)29(3,23)24/h4-7,10-11,13,19H,8-9H2,1-3H3