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

Systemtic Name: [(2S,3S)-3-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-4-phenylmethoxy-butan-2-yl] 4-phenylbenzoate Openeye Name: [(1S,2S)-3-benzyloxy-1-methyl-3-oxo-2-(p-tolylsulfonylamino)propyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic 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-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [(1S,2S)-3-benzoxy-3-keto-1-methyl-2-(tosylamino)propyl] ester Formula: C31H29NO6S MolecularWeight: 543.63006

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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)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]([C@H](C)OC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H29NO6S/c1-22-13-19-28(20-14-22)39(35,36)32-29(31(34)37-21-24-9-5-3-6-10-24)23(2)38-30(33)27-17-15-26(16-18-27)25-11-7-4-8-12-25/h3-20,23,29,32H,21H2,1-2H3/t23-,29-/m0/s1