[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propionic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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