(4,8-dimethyl-2-oxidanylidene-chromen-7-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (4,8-dimethyl-2-oxidanylidene-chromen-7-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (4,8-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 (4,8-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4,8-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 (2-keto-4,8-dimethyl-chromen-7-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=C(C5=C(C=C4)C(=CC(=O)O5)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC4=C(C5=C(C=C4)C(=CC(=O)O5)C)C

InChI

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