ethyl 2-[5-[4-(1-adamantylcarbonyl)piperazin-1-yl]sulfonyl-2-methoxy-phenoxy]ethanoate

Systemtic Name: ethyl 2-[5-[4-(1-adamantylcarbonyl)piperazin-1-yl]sulfonyl-2-methoxy-phenoxy]ethanoate Openeye Name: ethyl 2-[5-[4-(adamantane-1-carbonyl)piperazin-1-yl]sulfonyl-2-methoxy-phenoxy]acetate CAS Name: 2-[5-[[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]sulfonyl]-2-methoxyphenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[4-(adamantane-1-carbonyl)piperazin-1-yl]sulfonyl-2-methoxyphenoxy]acetate Traditional Name: 2-[5-[4-(adamantane-1-carbonyl)piperazino]sulfonyl-2-methoxy-phenoxy]acetic acid ethyl ester Formula: C26H36N2O7S MolecularWeight: 520.63824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O7S/c1-3-34-24(29)17-35-23-13-21(4-5-22(23)33-2)36(31,32)28-8-6-27(7-9-28)25(30)26-14-18-10-19(15-26)12-20(11-18)16-26/h4-5,13,18-20H,3,6-12,14-17H2,1-2H3