(3S,6S)-3-methyl-4-(4-methylphenyl)sulfonyl-1,6-bis(phenylmethyl)piperazin-2-one

Systemtic Name: (3S,6S)-3-methyl-4-(4-methylphenyl)sulfonyl-1,6-bis(phenylmethyl)piperazin-2-one Openeye Name: (3S,6S)-1,6-dibenzyl-3-methyl-4-(p-tolylsulfonyl)piperazin-2-one CAS Name: (3S,6S)-3-methyl-4-(4-methylphenyl)sulfonyl-1,6-bis(phenylmethyl)-2-piperazinone IUPAC Name: (3S,6S)-1,6-dibenzyl-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-2-one Traditional Name: (3S,6S)-1,6-dibenzyl-3-methyl-4-tosyl-piperazin-2-one Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C(CN1S(=O)(=O)C2=CC=C(C=C2)C)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H]1C(=O)N([C@H](CN1S(=O)(=O)C2=CC=C(C=C2)C)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3S/c1-20-13-15-25(16-14-20)32(30,31)28-19-24(17-22-9-5-3-6-10-22)27(26(29)21(28)2)18-23-11-7-4-8-12-23/h3-16,21,24H,17-19H2,1-2H3/t21-,24-/m0/s1