N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-chloranyl-N-ethyl-2-methyl-benzenesulfonamide

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-chloranyl-N-ethyl-2-methyl-benzenesulfonamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-3-chloro-N-ethyl-2-methyl-benzenesulfonamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-3-chloro-N-ethyl-2-methylbenzenesulfonamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-chloro-N-ethyl-2-methylbenzenesulfonamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-3-chloro-N-ethyl-2-methyl-benzenesulfonamide Formula: C22H27ClN2O2S2 MolecularWeight: 451.04498

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC(=CS1)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=C(C(=CC=C5)Cl)C

Isomeric SMILES

CCN(C1=NC(=CS1)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=C(C(=CC=C5)Cl)C

InChI

InChI=1S/C22H27ClN2O2S2/c1-3-25(29(26,27)19-6-4-5-18(23)14(19)2)21-24-20(13-28-21)22-10-15-7-16(11-22)9-17(8-15)12-22/h4-6,13,15-17H,3,7-12H2,1-2H3