2-[3-(3,5-dimethyl-4-phenyl-pyrazol-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate

Systemtic Name: 2-[3-(3,5-dimethyl-4-phenyl-pyrazol-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate Openeye Name: 2-[3-(3,5-dimethyl-4-phenyl-pyrazol-1-yl)phenyl]ethyl N-(p-tolylsulfonyl)carbamate CAS Name: N-(4-methylphenyl)sulfonylcarbamic acid 2-[3-(3,5-dimethyl-4-phenyl-1-pyrazolyl)phenyl]ethyl ester IUPAC Name: 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate Traditional Name: N-tosylcarbamic acid 2-[3-(3,5-dimethyl-4-phenyl-pyrazol-1-yl)phenyl]ethyl ester Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OCCC2=CC(=CC=C2)N3C(=C(C(=N3)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OCCC2=CC(=CC=C2)N3C(=C(C(=N3)C)C4=CC=CC=C4)C

InChI

InChI=1S/C27H27N3O4S/c1-19-12-14-25(15-13-19)35(32,33)29-27(31)34-17-16-22-8-7-11-24(18-22)30-21(3)26(20(2)28-30)23-9-5-4-6-10-23/h4-15,18H,16-17H2,1-3H3,(H,29,31)