[(1S)-1-cyanoethyl] (2S)-3-(1H-indol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [(1S)-1-cyanoethyl] (2S)-3-(1H-indol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanoate Openeye Name: [(1S)-1-cyanoethyl] (2S)-3-(1H-indol-3-yl)-2-(m-tolylsulfonylamino)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanoic acid [(1S)-1-cyanoethyl] ester IUPAC Name: [(1S)-1-cyanoethyl] (2S)-3-(1H-indol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-(m-tolylsulfonylamino)propionic acid [(1S)-1-cyanoethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC(C)C#N

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O[C@@H](C)C#N

InChI

InChI=1S/C21H21N3O4S/c1-14-6-5-7-17(10-14)29(26,27)24-20(21(25)28-15(2)12-22)11-16-13-23-19-9-4-3-8-18(16)19/h3-10,13,15,20,23-24H,11H2,1-2H3/t15-,20-/m0/s1