(2-oxidanylidenechromen-7-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (2-oxidanylidenechromen-7-yl) 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (2-oxochromen-7-yl) 3-(1H-indol-3-yl)-2-(p-tolylsulfonylamino)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid (2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (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-ketochromen-7-yl) ester Formula: C27H22N2O6S MolecularWeight: 502.53838

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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=CC(=O)O5

Isomeric SMILES

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

InChI

InChI=1S/C27H22N2O6S/c1-17-6-11-21(12-7-17)36(32,33)29-24(14-19-16-28-23-5-3-2-4-22(19)23)27(31)34-20-10-8-18-9-13-26(30)35-25(18)15-20/h2-13,15-16,24,28-29H,14H2,1H3