[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzoate CAS Name: 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzoate Traditional Name: 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C27H31NO7S MolecularWeight: 513.60254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C27H31NO7S/c1-33-23-8-7-20(12-24(23)34-2)36(31,32)28-22-6-4-3-5-21(22)26(30)35-16-25(29)27-13-17-9-18(14-27)11-19(10-17)15-27/h3-8,12,17-19,28H,9-11,13-16H2,1-2H3