(6S)-1,3-bis-(4-methylphenyl)sulfonyl-6-propyl-piperidin-2-one

Systemtic Name: (6S)-1,3-bis-(4-methylphenyl)sulfonyl-6-propyl-piperidin-2-one Openeye Name: (6S)-6-propyl-1,3-bis(p-tolylsulfonyl)piperidin-2-one CAS Name: (6S)-1,3-bis-(4-methylphenyl)sulfonyl-6-propyl-2-piperidinone IUPAC Name: (6S)-1,3-bis-(4-methylphenyl)sulfonyl-6-propylpiperidin-2-one Traditional Name: (6S)-6-propyl-1,3-ditosyl-2-piperidone Formula: C22H27NO5S2 MolecularWeight: 449.58348

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(C(=O)N1S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC[C@H]1CCC(C(=O)N1S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H27NO5S2/c1-4-5-18-10-15-21(29(25,26)19-11-6-16(2)7-12-19)22(24)23(18)30(27,28)20-13-8-17(3)9-14-20/h6-9,11-14,18,21H,4-5,10,15H2,1-3H3/t18-,21?/m0/s1