[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-[(4-methoxyphenyl)-methyl-sulfamoyl]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-[(4-methoxyphenyl)-methyl-sulfamoyl]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-chloro-5-[(4-methoxyphenyl)-methyl-sulfamoyl]benzoate CAS Name: 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoate Traditional Name: 2-chloro-5-[(4-methoxyphenyl)-methyl-sulfamoyl]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C27H30ClNO6S MolecularWeight: 532.0482

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H30ClNO6S/c1-29(20-3-5-21(34-2)6-4-20)36(32,33)22-7-8-24(28)23(12-22)26(31)35-16-25(30)27-13-17-9-18(14-27)11-19(10-17)15-27/h3-8,12,17-19H,9-11,13-16H2,1-2H3