(3,4,7-trimethyl-2-oxidanylidene-chromen-5-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: (3,4,7-trimethyl-2-oxidanylidene-chromen-5-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: (3,4,7-trimethyl-2-oxo-chromen-5-yl) 3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid (3,4,7-trimethyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (3,4,7-trimethyl-2-oxochromen-5-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: 3-phenyl-2-(tosylamino)propionic acid (2-keto-3,4,7-trimethyl-chromen-5-yl) ester Formula: C28H27NO6S MolecularWeight: 505.58208

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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(=CC4=C3C(=C(C(=O)O4)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OC3=CC(=CC4=C3C(=C(C(=O)O4)C)C)C

InChI

InChI=1S/C28H27NO6S/c1-17-10-12-22(13-11-17)36(32,33)29-23(16-21-8-6-5-7-9-21)28(31)35-25-15-18(2)14-24-26(25)19(3)20(4)27(30)34-24/h5-15,23,29H,16H2,1-4H3