(phenylmethyl) (2S,6S)-2,6-dimethyl-4-(4-methylphenyl)sulfonyl-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,6S)-2,6-dimethyl-4-(4-methylphenyl)sulfonyl-piperazine-1-carboxylate Openeye Name: benzyl (2S,6S)-2,6-dimethyl-4-(p-tolylsulfonyl)piperazine-1-carboxylate CAS Name: (2S,6S)-2,6-dimethyl-4-(4-methylphenyl)sulfonyl-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,6S)-2,6-dimethyl-4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate Traditional Name: (2S,6S)-2,6-dimethyl-4-tosyl-piperazine-1-carboxylic acid benzyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C(=O)OCC2=CC=CC=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

C[C@H]1CN(C[C@@H](N1C(=O)OCC2=CC=CC=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H26N2O4S/c1-16-9-11-20(12-10-16)28(25,26)22-13-17(2)23(18(3)14-22)21(24)27-15-19-7-5-4-6-8-19/h4-12,17-18H,13-15H2,1-3H3/t17-,18-/m0/s1