(3R,4S)-3-(2-chloranyl-2-adamantyl)-1-(4-methylphenyl)sulfonyl-piperidin-4-ol

Systemtic Name: (3R,4S)-3-(2-chloranyl-2-adamantyl)-1-(4-methylphenyl)sulfonyl-piperidin-4-ol Openeye Name: (3R,4S)-3-(2-chloro-2-adamantyl)-1-(p-tolylsulfonyl)piperidin-4-ol CAS Name: (3R,4S)-3-(2-chloro-2-adamantyl)-1-(4-methylphenyl)sulfonyl-4-piperidinol IUPAC Name: (3R,4S)-3-(2-chloro-2-adamantyl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol Traditional Name: (3R,4S)-3-(2-chloro-2-adamantyl)-1-tosyl-piperidin-4-ol Formula: C22H30ClNO3S MolecularWeight: 423.9965

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C(C2)C3(C4CC5CC(C4)CC3C5)Cl)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@@H]([C@@H](C2)C3(C4CC5CC(C4)CC3C5)Cl)O

InChI

InChI=1S/C22H30ClNO3S/c1-14-2-4-19(5-3-14)28(26,27)24-7-6-21(25)20(13-24)22(23)17-9-15-8-16(11-17)12-18(22)10-15/h2-5,15-18,20-21,25H,6-13H2,1H3/t15?,16?,17?,18?,20-,21+,22?/m1/s1