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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC4=C(C=C5C(=C(C(=O)OC5=C4)C)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC4=C(C=C5C(=C(C(=O)OC5=C4)C)C)Cl

InChI

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