methyl 3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-phenoxyphenyl)sulfonyl-butanoate

Systemtic Name: methyl 3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-phenoxyphenyl)sulfonyl-butanoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonyl-butanoate CAS Name: 3,3-dimethyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(4-phenoxyphenyl)sulfonylbutanoic acid methyl ester IUPAC Name: methyl 3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-phenoxyphenyl)sulfonylbutanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonyl-butyric acid methyl ester Formula: C24H31NO7S MolecularWeight: 477.57044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(=O)OC)C(C)(C)CS(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(C(=O)OC)C(C)(C)CS(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C24H31NO7S/c1-23(2,3)32-22(27)25-20(21(26)30-6)24(4,5)16-33(28,29)19-14-12-18(13-15-19)31-17-10-8-7-9-11-17/h7-15,20H,16H2,1-6H3,(H,25,27)