methyl 3-[3,5-dimethyl-1-[4-[(4-methylsulfonylphenyl)methylcarbamoyl]phenyl]pyrazol-4-yl]propanoate

Systemtic Name: methyl 3-[3,5-dimethyl-1-[4-[(4-methylsulfonylphenyl)methylcarbamoyl]phenyl]pyrazol-4-yl]propanoate Openeye Name: methyl 3-[3,5-dimethyl-1-[4-[(4-methylsulfonylphenyl)methylcarbamoyl]phenyl]pyrazol-4-yl]propanoate CAS Name: 3-[3,5-dimethyl-1-[4-[[(4-methylsulfonylphenyl)methylamino]-oxomethyl]phenyl]-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3,5-dimethyl-1-[4-[(4-methylsulfonylphenyl)methylcarbamoyl]phenyl]pyrazol-4-yl]propanoate Traditional Name: 3-[1-[4-[(4-mesylbenzyl)carbamoyl]phenyl]-3,5-dimethyl-pyrazol-4-yl]propionic acid methyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C)C)CCC(=O)OC

InChI

InChI=1S/C24H27N3O5S/c1-16-22(13-14-23(28)32-3)17(2)27(26-16)20-9-7-19(8-10-20)24(29)25-15-18-5-11-21(12-6-18)33(4,30)31/h5-12H,13-15H2,1-4H3,(H,25,29)