tert-butyl 3-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-(4-methylsulfonylphenoxy)phenoxy]propanoate

Systemtic Name: tert-butyl 3-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-(4-methylsulfonylphenoxy)phenoxy]propanoate Openeye Name: tert-butyl 3-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-(4-methylsulfonylphenoxy)phenoxy]propanoate CAS Name: 3-[3-[[(1-methyl-3-pyrazolyl)amino]-oxomethyl]-5-(4-methylsulfonylphenoxy)phenoxy]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-(4-methylsulfonylphenoxy)phenoxy]propanoate Traditional Name: 3-[3-(4-mesylphenoxy)-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]propionic acid tert-butyl ester Formula: C25H29N3O7S MolecularWeight: 515.57866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCOC1=CC(=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)C)C(=O)NC3=NN(C=C3)C

Isomeric SMILES

CC(C)(C)OC(=O)CCOC1=CC(=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)C)C(=O)NC3=NN(C=C3)C

InChI

InChI=1S/C25H29N3O7S/c1-25(2,3)35-23(29)11-13-33-19-14-17(24(30)26-22-10-12-28(4)27-22)15-20(16-19)34-18-6-8-21(9-7-18)36(5,31)32/h6-10,12,14-16H,11,13H2,1-5H3,(H,26,27,30)