methyl 3-(1H-indol-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate Openeye Name: methyl 3-(1H-indol-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-indol-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(mesitylsulfonylamino)propionic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC)C

InChI

InChI=1S/C21H24N2O4S/c1-13-9-14(2)20(15(3)10-13)28(25,26)23-19(21(24)27-4)11-16-12-22-18-8-6-5-7-17(16)18/h5-10,12,19,22-23H,11H2,1-4H3