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

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C20H20N2O5S/c1-14-6-8-15(9-7-14)28(25,26)22-11-10-20(24)27-13-19(23)17-12-21-18-5-3-2-4-16(17)18/h2-9,12,21-22H,10-11,13H2,1H3