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

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(4-methylsulfonylphenyl)carbonylamino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(4-methylsulfonylbenzoyl)amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(4-methylsulfonylphenyl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(4-methylsulfonylbenzoyl)amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[(4-mesylbenzoyl)amino]propionic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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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)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S/c1-27-20(24)18(11-14-12-21-17-6-4-3-5-16(14)17)22-19(23)13-7-9-15(10-8-13)28(2,25)26/h3-10,12,18,21H,11H2,1-2H3,(H,22,23)/t18-/m0/s1