[(2S,5S,7R)-1-cyano-2-adamantyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,5S,7R)-1-cyano-2-adamantyl] 4-methylbenzenesulfonate Openeye Name: [(2S,5S,7R)-1-cyano-2-adamantyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,5S,7R)-1-cyano-2-adamantyl] ester IUPAC Name: [(2S,5S,7R)-1-cyano-2-adamantyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,5S,7R)-1-cyano-2-adamantyl] ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C3CC4CC(C3)CC2(C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2C3C[C@H]4C[C@@H](C3)CC2(C4)C#N

InChI

InChI=1S/C18H21NO3S/c1-12-2-4-16(5-3-12)23(20,21)22-17-15-7-13-6-14(8-15)10-18(17,9-13)11-19/h2-5,13-15,17H,6-10H2,1H3/t13-,14+,15?,17-,18?/m0/s1