(8-methoxy-4-methyl-6-oxidanylidene-benzo[c]chromen-3-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (8-methoxy-4-methyl-6-oxidanylidene-benzo[c]chromen-3-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (8-methoxy-4-methyl-6-oxo-benzo[c]chromen-3-yl) 3-(1H-indol-3-yl)-2-(p-tolylsulfonylamino)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid (8-methoxy-4-methyl-6-oxo-3-benzo[c][1]benzopyranyl) ester IUPAC Name: (8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(tosylamino)propionic acid (6-keto-8-methoxy-4-methyl-benzo[c]chromen-3-yl) ester Formula: C33H28N2O7S MolecularWeight: 596.64962

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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)C6=C(C=C(C=C6)OC)C(=O)O5)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)C6=C(C=C(C=C6)OC)C(=O)O5)C

InChI

InChI=1S/C33H28N2O7S/c1-19-8-11-23(12-9-19)43(38,39)35-29(16-21-18-34-28-7-5-4-6-24(21)28)33(37)41-30-15-14-26-25-13-10-22(40-3)17-27(25)32(36)42-31(26)20(30)2/h4-15,17-18,29,34-35H,16H2,1-3H3