[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbamoyl]phenyl] ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C26H25N3O4S/c1-17-10-11-18(2)24(16-17)34(31,32)33-23-14-12-21(13-15-23)26(30)27-25-19(3)28-29(20(25)4)22-8-6-5-7-9-22/h5-16H,1-4H3,(H,27,30)