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

Systemtic Name: (4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (4-butyl-6-chloro-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 (4-butyl-6-chloro-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-6-chloro-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 (4-butyl-6-chloro-2-keto-chromen-7-yl) ester Formula: C31H29ClN2O6S MolecularWeight: 593.08976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=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

CCCCC1=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/C31H29ClN2O6S/c1-3-4-7-20-15-30(35)39-28-17-29(25(32)16-24(20)28)40-31(36)27(14-21-18-33-26-9-6-5-8-23(21)26)34-41(37,38)22-12-10-19(2)11-13-22/h5-6,8-13,15-18,27,33-34H,3-4,7,14H2,1-2H3