methyl 2-(2-adamantyloxycarbonylamino)-2-methyl-3-[1-(4-methylphenyl)sulfonylindazol-3-yl]propanoate

Systemtic Name: methyl 2-(2-adamantyloxycarbonylamino)-2-methyl-3-[1-(4-methylphenyl)sulfonylindazol-3-yl]propanoate Openeye Name: methyl 2-(2-adamantyloxycarbonylamino)-2-methyl-3-[1-(p-tolylsulfonyl)indazol-3-yl]propanoate CAS Name: 2-[[2-adamantyloxy(oxo)methyl]amino]-2-methyl-3-[1-(4-methylphenyl)sulfonyl-3-indazolyl]propanoic acid methyl ester IUPAC Name: methyl 2-(2-adamantyloxycarbonylamino)-2-methyl-3-[1-(4-methylphenyl)sulfonylindazol-3-yl]propanoate Traditional Name: 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-tosylindazol-3-yl)propionic acid methyl ester Formula: C30H35N3O6S MolecularWeight: 565.6804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=N2)CC(C)(C(=O)OC)NC(=O)OC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=N2)CC(C)(C(=O)OC)NC(=O)OC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C30H35N3O6S/c1-18-8-10-23(11-9-18)40(36,37)33-26-7-5-4-6-24(26)25(32-33)17-30(2,28(34)38-3)31-29(35)39-27-21-13-19-12-20(15-21)16-22(27)14-19/h4-11,19-22,27H,12-17H2,1-3H3,(H,31,35)