(5-methyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) (2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: (5-methyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) (2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: (1-hydroxy-5-methyl-9-oxo-xanthen-3-yl) (2R)-3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: (2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid (1-hydroxy-5-methyl-9-oxo-3-xanthenyl) ester IUPAC Name: (1-hydroxy-5-methyl-9-oxoxanthen-3-yl) (2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: (2R)-3-phenyl-2-(tosylamino)propionic acid (1-hydroxy-9-keto-5-methyl-xanthen-3-yl) ester Formula: C30H25NO7S MolecularWeight: 543.587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OC3=CC(=C4C(=C3)OC5=C(C4=O)C=CC=C5C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)OC3=CC(=C4C(=C3)OC5=C(C4=O)C=CC=C5C)O

InChI

InChI=1S/C30H25NO7S/c1-18-11-13-22(14-12-18)39(35,36)31-24(15-20-8-4-3-5-9-20)30(34)37-21-16-25(32)27-26(17-21)38-29-19(2)7-6-10-23(29)28(27)33/h3-14,16-17,24,31-32H,15H2,1-2H3/t24-/m1/s1