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

Systemtic Name: (7-methyl-2-oxidanylidene-4-propyl-chromen-5-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (7-methyl-2-oxo-4-propyl-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 (7-methyl-2-oxo-4-propyl-1-benzopyran-5-yl) ester IUPAC Name: (7-methyl-2-oxo-4-propylchromen-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-7-methyl-4-propyl-chromen-5-yl) ester Formula: C31H30N2O6S MolecularWeight: 558.6447

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)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(=C2)C)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)38-27-14-20(3)15-28(30(21)27)39-31(35)26(16-22-18-32-25-9-6-5-8-24(22)25)33-40(36,37)23-12-10-19(2)11-13-23/h5-6,8-15,17-18,26,32-33H,4,7,16H2,1-3H3