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

Systemtic Name: (2-oxidanylidene-4-propyl-chromen-7-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (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 (2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (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-4-propyl-chromen-7-yl) ester Formula: C30H28N2O6S MolecularWeight: 544.61812

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)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)OC(=O)C(CC3=CNC4=CC=CC=C43)NS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C30H28N2O6S/c1-3-6-20-16-29(33)38-28-17-22(11-14-25(20)28)37-30(34)27(15-21-18-31-26-8-5-4-7-24(21)26)32-39(35,36)23-12-9-19(2)10-13-23/h4-5,7-14,16-18,27,31-32H,3,6,15H2,1-2H3