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

Systemtic Name: dimethyl 3-[4-[(4-butoxyphenyl)sulfonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(4-butoxyphenyl)sulfonylamino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[(4-butoxyphenyl)sulfonylamino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(4-butoxyphenyl)sulfonylamino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[(4-butoxyphenyl)sulfonylamino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C20H27N3O7S MolecularWeight: 453.50928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC

InChI

InChI=1S/C20H27N3O7S/c1-4-5-10-30-17-6-8-18(9-7-17)31(26,27)22-15-13-21-23(14-15)16(11-19(24)28-2)12-20(25)29-3/h6-9,13-14,16,22H,4-5,10-12H2,1-3H3