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

Systemtic Name: (3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (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 (3,4-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (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 (2-keto-3,4-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=CC5=C(C=C4)C(=C(C(=O)O5)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC4=CC5=C(C=C4)C(=C(C(=O)O5)C)C

InChI

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