phenyl 2-[1-adamantylmethyl(methyl)amino]ethanesulfonate

Systemtic Name: phenyl 2-[1-adamantylmethyl(methyl)amino]ethanesulfonate Openeye Name: phenyl 2-[1-adamantylmethyl(methyl)amino]ethanesulfonate CAS Name: 2-[1-adamantylmethyl(methyl)amino]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[1-adamantylmethyl(methyl)amino]ethanesulfonate Traditional Name: 2-[1-adamantylmethyl(methyl)amino]ethanesulfonic acid phenyl ester Formula: C20H29NO3S MolecularWeight: 363.51416

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCS(=O)(=O)OC1=CC=CC=C1)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(CCS(=O)(=O)OC1=CC=CC=C1)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H29NO3S/c1-21(7-8-25(22,23)24-19-5-3-2-4-6-19)15-20-12-16-9-17(13-20)11-18(10-16)14-20/h2-6,16-18H,7-15H2,1H3