N-(1-adamantyl)-3-chloranyl-5-[(4-cyano-3-oxidanylidene-1,2-thiazol-5-yl)amino]benzenesulfonamide

Systemtic Name: N-(1-adamantyl)-3-chloranyl-5-[(4-cyano-3-oxidanylidene-1,2-thiazol-5-yl)amino]benzenesulfonamide Openeye Name: N-(1-adamantyl)-3-chloro-5-[(4-cyano-3-oxo-isothiazol-5-yl)amino]benzenesulfonamide CAS Name: N-(1-adamantyl)-3-chloro-5-[(4-cyano-3-oxo-5-isothiazolyl)amino]benzenesulfonamide IUPAC Name: N-(1-adamantyl)-3-chloro-5-[(4-cyano-3-oxo-1,2-thiazol-5-yl)amino]benzenesulfonamide Traditional Name: N-(1-adamantyl)-3-chloro-5-[(4-cyano-3-keto-4-isothiazolin-5-yl)amino]benzenesulfonamide Formula: C20H21ClN4O3S2 MolecularWeight: 464.98874

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NS(=O)(=O)C4=CC(=CC(=C4)NC5=C(C(=O)NS5)C#N)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NS(=O)(=O)C4=CC(=CC(=C4)NC5=C(C(=O)NS5)C#N)Cl

InChI

InChI=1S/C20H21ClN4O3S2/c21-14-4-15(23-19-17(10-22)18(26)24-29-19)6-16(5-14)30(27,28)25-20-7-11-1-12(8-20)3-13(2-11)9-20/h4-6,11-13,23,25H,1-3,7-9H2,(H,24,26)