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

Systemtic Name: 5-[[6-chloranyl-7-methyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]-methylsulfonyl-amino]pentanoic acid Openeye Name: 5-[(6-chloro-7-methyl-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-methylsulfonyl-amino]pentanoic acid CAS Name: 5-[(6-chloro-7-methyl-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-methylsulfonylamino]pentanoic acid IUPAC Name: 5-[(6-chloro-7-methyl-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-methylsulfonylamino]pentanoic acid Traditional Name: 5-[(6-chloro-2,3-diketo-7-methyl-1,4-dihydroquinoxalin-5-yl)-mesyl-amino]valeric acid Formula: C15H18ClN3O6S MolecularWeight: 403.83792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O6S/c1-8-7-9-12(18-15(23)14(22)17-9)13(11(8)16)19(26(2,24)25)6-4-3-5-10(20)21/h7H,3-6H2,1-2H3,(H,17,22)(H,18,23)(H,20,21)