2-[1-methyl-2-[(4-methylphenyl)sulfonylamino]indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-methyl-2-[(4-methylphenyl)sulfonylamino]indol-3-yl]ethanoic acid Openeye Name: 2-[1-methyl-2-(p-tolylsulfonylamino)indol-3-yl]acetic acid CAS Name: 2-[1-methyl-2-[(4-methylphenyl)sulfonylamino]-3-indolyl]acetic acid IUPAC Name: 2-[1-methyl-2-[(4-methylphenyl)sulfonylamino]indol-3-yl]acetic acid Traditional Name: 2-[1-methyl-2-(tosylamino)indol-3-yl]acetic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C3=CC=CC=C3N2C)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C3=CC=CC=C3N2C)CC(=O)O

InChI

InChI=1S/C18H18N2O4S/c1-12-7-9-13(10-8-12)25(23,24)19-18-15(11-17(21)22)14-5-3-4-6-16(14)20(18)2/h3-10,19H,11H2,1-2H3,(H,21,22)