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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-benzoate CAS Name: 3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoate Traditional Name: 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C27H31NO6S MolecularWeight: 497.60314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)NC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)NC5=CC=C(C=C5)OC

InChI

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