(8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (8-methyl-2-oxo-4-propyl-chromen-7-yl) 3-(1H-indol-3-yl)-2-(p-tolylsulfonylamino)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid (8-methyl-2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (8-methyl-2-oxo-4-propylchromen-7-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(tosylamino)propionic acid (2-keto-8-methyl-4-propyl-chromen-7-yl) ester Formula: C31H30N2O6S MolecularWeight: 558.6447

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)C(CC3=CNC4=CC=CC=C43)NS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)C(CC3=CNC4=CC=CC=C43)NS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C31H30N2O6S/c1-4-7-21-17-29(34)39-30-20(3)28(15-14-25(21)30)38-31(35)27(16-22-18-32-26-9-6-5-8-24(22)26)33-40(36,37)23-12-10-19(2)11-13-23/h5-6,8-15,17-18,27,32-33H,4,7,16H2,1-3H3