(3,4,7-trimethyl-2-oxidanylidene-chromen-5-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (3,4,7-trimethyl-2-oxidanylidene-chromen-5-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (3,4,7-trimethyl-2-oxo-chromen-5-yl) 3-(1H-indol-3-yl)-2-(p-tolylsulfonylamino)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid (3,4,7-trimethyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (3,4,7-trimethyl-2-oxochromen-5-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(tosylamino)propionic acid (2-keto-3,4,7-trimethyl-chromen-5-yl) ester Formula: C30H28N2O6S MolecularWeight: 544.61812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC4=CC(=CC5=C4C(=C(C(=O)O5)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC4=CC(=CC5=C4C(=C(C(=O)O5)C)C)C

InChI

InChI=1S/C30H28N2O6S/c1-17-9-11-22(12-10-17)39(35,36)32-25(15-21-16-31-24-8-6-5-7-23(21)24)30(34)38-27-14-18(2)13-26-28(27)19(3)20(4)29(33)37-26/h5-14,16,25,31-32H,15H2,1-4H3