N-[2-[2-[4-(1-adamantylcarbonyl)piperazin-1-yl]sulfonyl-4,5-dimethoxy-phenyl]ethyl]methanesulfonamide

Systemtic Name: N-[2-[2-[4-(1-adamantylcarbonyl)piperazin-1-yl]sulfonyl-4,5-dimethoxy-phenyl]ethyl]methanesulfonamide Openeye Name: N-[2-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]sulfonyl-4,5-dimethoxy-phenyl]ethyl]methanesulfonamide CAS Name: N-[2-[2-[[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]sulfonyl]-4,5-dimethoxyphenyl]ethyl]methanesulfonamide IUPAC Name: N-[2-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]sulfonyl-4,5-dimethoxyphenyl]ethyl]methanesulfonamide Traditional Name: N-[2-[2-[4-(adamantane-1-carbonyl)piperazino]sulfonyl-4,5-dimethoxy-phenyl]ethyl]methanesulfonamide Formula: C26H39N3O7S2 MolecularWeight: 569.73376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNS(=O)(=O)C)S(=O)(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNS(=O)(=O)C)S(=O)(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C26H39N3O7S2/c1-35-22-13-21(4-5-27-37(3,31)32)24(14-23(22)36-2)38(33,34)29-8-6-28(7-9-29)25(30)26-15-18-10-19(16-26)12-20(11-18)17-26/h13-14,18-20,27H,4-12,15-17H2,1-3H3