[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[(4-methoxyphenyl)-methyl-sulfamoyl]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[(4-methoxyphenyl)-methyl-sulfamoyl]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-[(4-methoxyphenyl)-methyl-sulfamoyl]benzoate CAS Name: 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate Traditional Name: 3-[(4-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=C(C=C1)OC)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

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

InChI

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