[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(1H-indol-3-yl)propanoate Openeye Name: [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [2-keto-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCC(=O)OCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCC(=O)OCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H23N3O5S/c22-30(27,28)17-8-5-15(6-9-17)11-12-23-20(25)14-29-21(26)10-7-16-13-24-19-4-2-1-3-18(16)19/h1-6,8-9,13,24H,7,10-12,14H2,(H,23,25)(H2,22,27,28)