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

Systemtic Name: [1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]propanoic acid [1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-phenetylsulfonylamino)propionic acid [2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC(C)C(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC(C)C(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C22H24N2O6S/c1-3-29-16-8-10-17(11-9-16)31(27,28)24-13-12-21(25)30-15(2)22(26)19-14-23-20-7-5-4-6-18(19)20/h4-11,14-15,23-24H,3,12-13H2,1-2H3