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

Systemtic Name: (4,7-dimethyl-2-oxidanylidene-chromen-5-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (4,7-dimethyl-2-oxo-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 (4,7-dimethyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (4,7-dimethyl-2-oxochromen-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-4,7-dimethyl-chromen-5-yl) ester Formula: C29H26N2O6S MolecularWeight: 530.59154

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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=CC(=CC5=C4C(=CC(=O)O5)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC4=CC(=CC5=C4C(=CC(=O)O5)C)C

InChI

InChI=1S/C29H26N2O6S/c1-17-8-10-21(11-9-17)38(34,35)31-24(15-20-16-30-23-7-5-4-6-22(20)23)29(33)37-26-13-18(2)12-25-28(26)19(3)14-27(32)36-25/h4-14,16,24,30-31H,15H2,1-3H3