[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[(5-chloranyl-2,4-dimethoxy-phenyl)sulfamoyl]-4-methyl-benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[(5-chloranyl-2,4-dimethoxy-phenyl)sulfamoyl]-4-methyl-benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-[(5-chloro-2,4-dimethoxy-phenyl)sulfamoyl]-4-methyl-benzoate CAS Name: 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate Traditional Name: 3-[(5-chloro-2,4-dimethoxy-phenyl)sulfamoyl]-4-methyl-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C28H32ClNO7S MolecularWeight: 562.07418

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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=C5OC)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)NC5=CC(=C(C=C5OC)OC)Cl

InChI

InChI=1S/C28H32ClNO7S/c1-16-4-5-20(9-25(16)38(33,34)30-22-10-21(29)23(35-2)11-24(22)36-3)27(32)37-15-26(31)28-12-17-6-18(13-28)8-19(7-17)14-28/h4-5,9-11,17-19,30H,6-8,12-15H2,1-3H3