[(2S,3S)-3-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-4-phenylmethoxy-butan-2-yl] 4-methoxybenzoate

Systemtic Name: [(2S,3S)-3-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-4-phenylmethoxy-butan-2-yl] 4-methoxybenzoate Openeye Name: [(1S,2S)-3-benzyloxy-1-methyl-3-oxo-2-(p-tolylsulfonylamino)propyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(2S,3S)-3-[(4-methylphenyl)sulfonylamino]-4-oxo-4-phenylmethoxybutan-2-yl] ester IUPAC Name: [(2S,3S)-3-[(4-methylphenyl)sulfonylamino]-4-oxo-4-phenylmethoxybutan-2-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(1S,2S)-3-benzoxy-3-keto-1-methyl-2-(tosylamino)propyl] ester Formula: C26H27NO7S MolecularWeight: 497.56008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)OC(=O)C2=CC=C(C=C2)OC)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]([C@H](C)OC(=O)C2=CC=C(C=C2)OC)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H27NO7S/c1-18-9-15-23(16-10-18)35(30,31)27-24(26(29)33-17-20-7-5-4-6-8-20)19(2)34-25(28)21-11-13-22(32-3)14-12-21/h4-16,19,24,27H,17H2,1-3H3/t19-,24-/m0/s1