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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) (2S)-3-(1H-indol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanoate Openeye Name: (2-amino-2-oxo-ethyl) (2S)-3-(1H-indol-3-yl)-2-(m-tolylsulfonylamino)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) (2S)-3-(1H-indol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-(m-tolylsulfonylamino)propionic acid (2-amino-2-keto-ethyl) ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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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)OCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-13-5-4-6-15(9-13)29(26,27)23-18(20(25)28-12-19(21)24)10-14-11-22-17-8-3-2-7-16(14)17/h2-9,11,18,22-23H,10,12H2,1H3,(H2,21,24)/t18-/m0/s1