(phenylmethyl) (2S,3S)-3-anthracen-9-yl-2-methyl-2-[(4-methylphenyl)sulfonylamino]-3-oxidanyl-propanoate

Systemtic Name: (phenylmethyl) (2S,3S)-3-anthracen-9-yl-2-methyl-2-[(4-methylphenyl)sulfonylamino]-3-oxidanyl-propanoate Openeye Name: benzyl (2S,3S)-3-(9-anthryl)-3-hydroxy-2-methyl-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S,3S)-3-(9-anthracenyl)-3-hydroxy-2-methyl-2-[(4-methylphenyl)sulfonylamino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S)-3-anthracen-9-yl-3-hydroxy-2-methyl-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S,3S)-3-(9-anthryl)-3-hydroxy-2-methyl-2-(tosylamino)propionic acid benzyl ester Formula: C32H29NO5S MolecularWeight: 539.64136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)(C(C2=C3C=CC=CC3=CC4=CC=CC=C42)O)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@](C)([C@H](C2=C3C=CC=CC3=CC4=CC=CC=C42)O)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C32H29NO5S/c1-22-16-18-26(19-17-22)39(36,37)33-32(2,31(35)38-21-23-10-4-3-5-11-23)30(34)29-27-14-8-6-12-24(27)20-25-13-7-9-15-28(25)29/h3-20,30,33-34H,21H2,1-2H3/t30-,32-/m0/s1