3-(1H-indol-3-yl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propionic acid Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)C)C

InChI

InChI=1S/C21H24N2O4S/c1-12-9-13(2)15(4)20(14(12)3)28(26,27)23-19(21(24)25)10-16-11-22-18-8-6-5-7-17(16)18/h5-9,11,19,22-23H,10H2,1-4H3,(H,24,25)