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

Systemtic Name: dimethyl 3-[4-[(phenylmethyl)sulfonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-(benzylsulfonylamino)pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[(phenylmethyl)sulfonylamino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-(benzylsulfonylamino)pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-(benzylsulfonylamino)pyrazol-1-yl]glutaric acid dimethyl ester Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O6S/c1-25-16(21)8-15(9-17(22)26-2)20-11-14(10-18-20)19-27(23,24)12-13-6-4-3-5-7-13/h3-7,10-11,15,19H,8-9,12H2,1-2H3