[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[4-[(4-ethoxyphenyl)sulfonyl-methyl-amino]phenoxy]ethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[4-[(4-ethoxyphenyl)sulfonyl-methyl-amino]phenoxy]ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[4-[(4-ethoxyphenyl)sulfonyl-methyl-amino]phenoxy]acetate CAS Name: 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetate Traditional Name: 2-[4-[methyl(p-phenetylsulfonyl)amino]phenoxy]acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C29H36N2O7S MolecularWeight: 556.67034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H36N2O7S/c1-3-36-24-8-10-26(11-9-24)39(34,35)31(2)23-4-6-25(7-5-23)37-19-28(33)38-18-27(32)30-29-15-20-12-21(16-29)14-22(13-20)17-29/h4-11,20-22H,3,12-19H2,1-2H3,(H,30,32)