2-[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]sulfanylethanoic acid Openeye Name: 2-[3-(p-tolylsulfonylamino)quinoxalin-2-yl]sulfanylacetic acid CAS Name: 2-[[3-[(4-methylphenyl)sulfonylamino]-2-quinoxalinyl]thio]acetic acid IUPAC Name: 2-[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-(tosylamino)quinoxalin-2-yl]thio]acetic acid Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2SCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2SCC(=O)O

InChI

InChI=1S/C17H15N3O4S2/c1-11-6-8-12(9-7-11)26(23,24)20-16-17(25-10-15(21)22)19-14-5-3-2-4-13(14)18-16/h2-9H,10H2,1H3,(H,18,20)(H,21,22)