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

Systemtic Name: 2-[(2,5-dimethylphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[(2,5-dimethylphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[(2,5-dimethylphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(2,5-dimethylphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[(2,5-dimethylphenyl)sulfonylamino]-3-(1H-indol-3-yl)propionic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C19H20N2O4S/c1-12-7-8-13(2)18(9-12)26(24,25)21-17(19(22)23)10-14-11-20-16-6-4-3-5-15(14)16/h3-9,11,17,20-21H,10H2,1-2H3,(H,22,23)