2-[[6-chloranyl-7-methyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]-methylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[[6-chloranyl-7-methyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]-methylsulfonyl-amino]ethanoic acid Openeye Name: 2-[(6-chloro-7-methyl-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-methylsulfonyl-amino]acetic acid CAS Name: 2-[(6-chloro-7-methyl-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-methylsulfonylamino]acetic acid IUPAC Name: 2-[(6-chloro-7-methyl-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-methylsulfonylamino]acetic acid Traditional Name: 2-[(6-chloro-2,3-diketo-7-methyl-1,4-dihydroquinoxalin-5-yl)-mesyl-amino]acetic acid Formula: C12H12ClN3O6S MolecularWeight: 361.75818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1Cl)N(CC(=O)O)S(=O)(=O)C)NC(=O)C(=O)N2

Isomeric SMILES

CC1=CC2=C(C(=C1Cl)N(CC(=O)O)S(=O)(=O)C)NC(=O)C(=O)N2

InChI

InChI=1S/C12H12ClN3O6S/c1-5-3-6-9(15-12(20)11(19)14-6)10(8(5)13)16(4-7(17)18)23(2,21)22/h3H,4H2,1-2H3,(H,14,19)(H,15,20)(H,17,18)