[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]benzoate CAS Name: 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]benzoate Traditional Name: 4-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C27H30BrNO6S MolecularWeight: 576.4992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H30BrNO6S/c1-2-34-23-8-5-21(28)12-24(23)36(32,33)29-22-6-3-20(4-7-22)26(31)35-16-25(30)27-13-17-9-18(14-27)11-19(10-17)15-27/h3-8,12,17-19,29H,2,9-11,13-16H2,1H3