[1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC(C)C(=O)C2=C(NC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC(C)C(=O)C2=C(NC3=CC=CC=C32)C

InChI

InChI=1S/C22H24N2O5S/c1-14-8-10-17(11-9-14)30(27,28)23-13-12-20(25)29-16(3)22(26)21-15(2)24-19-7-5-4-6-18(19)21/h4-11,16,23-24H,12-13H2,1-3H3