4-(4-bromophenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-piperidin-4-ol

Systemtic Name: 4-(4-bromophenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-piperidin-4-ol Openeye Name: 4-(4-bromophenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-piperidin-4-ol CAS Name: 4-(4-bromophenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-piperidinol IUPAC Name: 4-(4-bromophenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-4-ol Traditional Name: 4-(4-bromophenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-piperidin-4-ol Formula: C22H28BrNO3S MolecularWeight: 466.43162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCC(CC2)(C3=CC=C(C=C3)Br)O)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCC(CC2)(C3=CC=C(C=C3)Br)O)C)C

InChI

InChI=1S/C22H28BrNO3S/c1-14-15(2)17(4)21(18(5)16(14)3)28(26,27)24-12-10-22(25,11-13-24)19-6-8-20(23)9-7-19/h6-9,25H,10-13H2,1-5H3