(2R)-3-(1H-indol-3-yl)-2-[(3-methylsulfonylphenyl)carbonylamino]propanoate

Systemtic Name: (2R)-3-(1H-indol-3-yl)-2-[(3-methylsulfonylphenyl)carbonylamino]propanoate Openeye Name: (2R)-3-(1H-indol-3-yl)-2-[(3-methylsulfonylbenzoyl)amino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[(3-methylsulfonylphenyl)-oxomethyl]amino]propanoate IUPAC Name: (2R)-3-(1H-indol-3-yl)-2-[(3-methylsulfonylbenzoyl)amino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[(3-mesylbenzoyl)amino]propionate Formula: C19H17N2O5S- MolecularWeight: 385.41368

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C19H18N2O5S/c1-27(25,26)14-6-4-5-12(9-14)18(22)21-17(19(23)24)10-13-11-20-16-8-3-2-7-15(13)16/h2-9,11,17,20H,10H2,1H3,(H,21,22)(H,23,24)/p-1/t17-/m1/s1