3-(1H-indol-3-yl)-2-[(4-methylsulfonylphenyl)carbonylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[(4-methylsulfonylphenyl)carbonylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[(4-methylsulfonylbenzoyl)amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[(4-methylsulfonylphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[(4-methylsulfonylbenzoyl)amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[(4-mesylbenzoyl)amino]propionic acid Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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