[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-[methyl-(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-[methyl-(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 5-[benzyl(methyl)sulfamoyl]-2-chloro-benzoate CAS Name: 2-chloro-5-[methyl-(phenylmethyl)sulfamoyl]benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate Traditional Name: 5-[benzyl(methyl)sulfamoyl]-2-chloro-benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C27H31ClN2O5S MolecularWeight: 531.06344

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H31ClN2O5S/c1-30(16-18-5-3-2-4-6-18)36(33,34)22-7-8-24(28)23(12-22)26(32)35-17-25(31)29-27-13-19-9-20(14-27)11-21(10-19)15-27/h2-8,12,19-21H,9-11,13-17H2,1H3,(H,29,31)