N-[2-(1-adamantyloxy)ethyl]-3-methyl-2-oxidanylidene-1,3-benzothiazole-6-sulfonamide

Systemtic Name: N-[2-(1-adamantyloxy)ethyl]-3-methyl-2-oxidanylidene-1,3-benzothiazole-6-sulfonamide Openeye Name: N-[2-(1-adamantyloxy)ethyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide CAS Name: N-[2-(1-adamantyloxy)ethyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide IUPAC Name: N-[2-(1-adamantyloxy)ethyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide Traditional Name: N-[2-(1-adamantyloxy)ethyl]-2-keto-3-methyl-1,3-benzothiazole-6-sulfonamide Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)NCCOC34CC5CC(C3)CC(C5)C4)SC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)NCCOC34CC5CC(C3)CC(C5)C4)SC1=O

InChI

InChI=1S/C20H26N2O4S2/c1-22-17-3-2-16(9-18(17)27-19(22)23)28(24,25)21-4-5-26-20-10-13-6-14(11-20)8-15(7-13)12-20/h2-3,9,13-15,21H,4-8,10-12H2,1H3