[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]ethanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]ethanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]acetate CAS Name: 2-[4-[(4-acetamidophenyl)sulfonyl-methylamino]phenoxy]acetic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-[4-[(4-acetamidophenyl)sulfonyl-methylamino]phenoxy]acetate Traditional Name: 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]acetic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C29H34N2O7S MolecularWeight: 554.65446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H34N2O7S/c1-19(32)30-23-3-9-26(10-4-23)39(35,36)31(2)24-5-7-25(8-6-24)37-18-28(34)38-17-27(33)29-14-20-11-21(15-29)13-22(12-20)16-29/h3-10,20-22H,11-18H2,1-2H3,(H,30,32)