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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC

InChI

InChI=1S/C17H21N3O6S/c1-12-4-6-15(7-5-12)27(23,24)19-13-10-18-20(11-13)14(8-16(21)25-2)9-17(22)26-3/h4-7,10-11,14,19H,8-9H2,1-3H3