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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-[(2-methoxyphenyl)-methyl-sulfamoyl]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-[(2-methoxyphenyl)-methyl-sulfamoyl]benzoate CAS Name: 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate Traditional Name: 4-[(2-methoxyphenyl)-methyl-sulfamoyl]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C27H31NO6S MolecularWeight: 497.60314

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H31NO6S/c1-28(23-5-3-4-6-24(23)33-2)35(31,32)22-9-7-21(8-10-22)26(30)34-17-25(29)27-14-18-11-19(15-27)13-20(12-18)16-27/h3-10,18-20H,11-17H2,1-2H3