2-[3-chloranyl-5-methyl-4-(4-oxidanyl-3-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]-1,2,4-triazine-3,5-dione

Systemtic Name: 2-[3-chloranyl-5-methyl-4-(4-oxidanyl-3-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]-1,2,4-triazine-3,5-dione Openeye Name: 2-[3-chloro-4-(4-hydroxy-3-pyrrolidin-1-ylsulfonyl-phenoxy)-5-methyl-phenyl]-1,2,4-triazine-3,5-dione CAS Name: 2-[3-chloro-4-[4-hydroxy-3-(1-pyrrolidinylsulfonyl)phenoxy]-5-methylphenyl]-1,2,4-triazine-3,5-dione IUPAC Name: 2-[3-chloro-4-(4-hydroxy-3-pyrrolidin-1-ylsulfonylphenoxy)-5-methylphenyl]-1,2,4-triazine-3,5-dione Traditional Name: 2-[3-chloro-4-(4-hydroxy-3-pyrrolidinosulfonyl-phenoxy)-5-methyl-phenyl]-1,2,4-triazine-3,5-quinone Formula: C20H19ClN4O6S MolecularWeight: 478.90606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)N3CCCC3)Cl)N4C(=O)NC(=O)C=N4

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)N3CCCC3)Cl)N4C(=O)NC(=O)C=N4

InChI

InChI=1S/C20H19ClN4O6S/c1-12-8-13(25-20(28)23-18(27)11-22-25)9-15(21)19(12)31-14-4-5-16(26)17(10-14)32(29,30)24-6-2-3-7-24/h4-5,8-11,26H,2-3,6-7H2,1H3,(H,23,27,28)