methyl (2S)-3-(1H-indol-3-yl)-2-[[4-(methylsulfonylmethyl)phenyl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[4-(methylsulfonylmethyl)phenyl]carbonylamino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[4-(methylsulfonylmethyl)benzoyl]amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[[4-(methylsulfonylmethyl)phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[4-(methylsulfonylmethyl)benzoyl]amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[4-(mesylmethyl)benzoyl]amino]propionic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)CS(=O)(=O)C

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)CS(=O)(=O)C

InChI

InChI=1S/C21H22N2O5S/c1-28-21(25)19(11-16-12-22-18-6-4-3-5-17(16)18)23-20(24)15-9-7-14(8-10-15)13-29(2,26)27/h3-10,12,19,22H,11,13H2,1-2H3,(H,23,24)/t19-/m0/s1