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

Systemtic Name: [4-(4-methoxyphenyl)-8-methyl-2-oxidanylidene-chromen-7-yl] 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [4-(4-methoxyphenyl)-8-methyl-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-(4-methoxyphenyl)-8-methyl-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [4-(4-methoxyphenyl)-8-methyl-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-(4-methoxyphenyl)-8-methyl-chromen-7-yl] ester Formula: C35H30N2O7S MolecularWeight: 622.6869

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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)C6=CC=C(C=C6)OC)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)C6=CC=C(C=C6)OC)C

InChI

InChI=1S/C35H30N2O7S/c1-21-8-14-26(15-9-21)45(40,41)37-31(18-24-20-36-30-7-5-4-6-27(24)30)35(39)43-32-17-16-28-29(19-33(38)44-34(28)22(32)2)23-10-12-25(42-3)13-11-23/h4-17,19-20,31,36-37H,18H2,1-3H3