3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]propyl methanesulfonate

Systemtic Name: 3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]propyl methanesulfonate Openeye Name: 3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]propyl ester IUPAC Name: 3-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]propyl ester Formula: C22H30ClNO4S MolecularWeight: 439.9959

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CS(=O)(=O)OCCCC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30ClNO4S/c1-29(26,27)28-6-2-3-15-4-5-20(23)19(10-15)21(25)24-14-22-11-16-7-17(12-22)9-18(8-16)13-22/h4-5,10,16-18H,2-3,6-9,11-14H2,1H3,(H,24,25)