3-(1-methylindol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-(1-methylindol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-(1-methylindol-3-yl)-2-(p-tolylsulfonylamino)propanoic acid CAS Name: 3-(1-methyl-3-indolyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-(1-methylindol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-(1-methylindol-3-yl)-2-(tosylamino)propionic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CN(C3=CC=CC=C32)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CN(C3=CC=CC=C32)C)C(=O)O

InChI

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