5-[4-(1-adamantylcarbonyl)piperazin-1-yl]sulfonyl-3H-1,3-benzothiazol-2-one

Systemtic Name: 5-[4-(1-adamantylcarbonyl)piperazin-1-yl]sulfonyl-3H-1,3-benzothiazol-2-one Openeye Name: 5-[4-(adamantane-1-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-benzothiazol-2-one CAS Name: 5-[[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]sulfonyl]-3H-1,3-benzothiazol-2-one IUPAC Name: 5-[4-(adamantane-1-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-benzothiazol-2-one Traditional Name: 5-[4-(adamantane-1-carbonyl)piperazino]sulfonyl-3H-1,3-benzothiazol-2-one Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC6=C(C=C5)SC(=O)N6

Isomeric SMILES

C1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC6=C(C=C5)SC(=O)N6

InChI

InChI=1S/C22H27N3O4S2/c26-20(22-11-14-7-15(12-22)9-16(8-14)13-22)24-3-5-25(6-4-24)31(28,29)17-1-2-19-18(10-17)23-21(27)30-19/h1-2,10,14-16H,3-9,11-13H2,(H,23,27)