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

Systemtic Name: N-(1-adamantyl)-3-[(4-cyano-3-oxidanylidene-1,2-thiazol-5-yl)amino]benzenesulfonamide Openeye Name: N-(1-adamantyl)-3-[(4-cyano-3-oxo-isothiazol-5-yl)amino]benzenesulfonamide CAS Name: N-(1-adamantyl)-3-[(4-cyano-3-oxo-5-isothiazolyl)amino]benzenesulfonamide IUPAC Name: N-(1-adamantyl)-3-[(4-cyano-3-oxo-1,2-thiazol-5-yl)amino]benzenesulfonamide Traditional Name: N-(1-adamantyl)-3-[(4-cyano-3-keto-4-isothiazolin-5-yl)amino]benzenesulfonamide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S2/c21-11-17-18(25)23-28-19(17)22-15-2-1-3-16(7-15)29(26,27)24-20-8-12-4-13(9-20)6-14(5-12)10-20/h1-3,7,12-14,22,24H,4-6,8-10H2,(H,23,25)