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

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-14-7-9-16(10-8-14)29(26,27)22-12-11-20(25)28-13-19(24)21-15(2)23-18-6-4-3-5-17(18)21/h3-10,22-23H,11-13H2,1-2H3