[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-[ethyl(phenyl)sulfamoyl]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-[ethyl(phenyl)sulfamoyl]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-chloro-5-[ethyl(phenyl)sulfamoyl]benzoate CAS Name: 2-chloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-chloro-5-[ethyl(phenyl)sulfamoyl]benzoate Traditional Name: 2-chloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C27H30ClNO5S MolecularWeight: 516.0488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30ClNO5S/c1-2-29(21-6-4-3-5-7-21)35(32,33)22-8-9-24(28)23(13-22)26(31)34-17-25(30)27-14-18-10-19(15-27)12-20(11-18)16-27/h3-9,13,18-20H,2,10-12,14-17H2,1H3