4-[3,5-bis(oxidanylidene)-1,2,4-triazin-2-yl]-2-chloranyl-N-cyclooctyl-benzenesulfonamide

Systemtic Name: 4-[3,5-bis(oxidanylidene)-1,2,4-triazin-2-yl]-2-chloranyl-N-cyclooctyl-benzenesulfonamide Openeye Name: 2-chloro-N-cyclooctyl-4-(3,5-dioxo-1,2,4-triazin-2-yl)benzenesulfonamide CAS Name: 2-chloro-N-cyclooctyl-4-(3,5-dioxo-1,2,4-triazin-2-yl)benzenesulfonamide IUPAC Name: 2-chloro-N-cyclooctyl-4-(3,5-dioxo-1,2,4-triazin-2-yl)benzenesulfonamide Traditional Name: 2-chloro-N-cyclooctyl-4-(3,5-diketo-1,2,4-triazin-2-yl)benzenesulfonamide Formula: C17H21ClN4O4S MolecularWeight: 412.89104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NS(=O)(=O)C2=C(C=C(C=C2)N3C(=O)NC(=O)C=N3)Cl

Isomeric SMILES

C1CCCC(CCC1)NS(=O)(=O)C2=C(C=C(C=C2)N3C(=O)NC(=O)C=N3)Cl

InChI

InChI=1S/C17H21ClN4O4S/c18-14-10-13(22-17(24)20-16(23)11-19-22)8-9-15(14)27(25,26)21-12-6-4-2-1-3-5-7-12/h8-12,21H,1-7H2,(H,20,23,24)