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

Systemtic Name: (6-chloranyl-4-ethyl-2-oxidanylidene-chromen-7-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (6-chloro-4-ethyl-2-oxo-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 (6-chloro-4-ethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-4-ethyl-2-oxochromen-7-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(tosylamino)propionic acid (6-chloro-4-ethyl-2-keto-chromen-7-yl) ester Formula: C29H25ClN2O6S MolecularWeight: 565.0366

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CC3=CNC4=CC=CC=C43)NS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CC3=CNC4=CC=CC=C43)NS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C29H25ClN2O6S/c1-3-18-13-28(33)37-26-15-27(23(30)14-22(18)26)38-29(34)25(12-19-16-31-24-7-5-4-6-21(19)24)32-39(35,36)20-10-8-17(2)9-11-20/h4-11,13-16,25,31-32H,3,12H2,1-2H3