(4-methylsulfonylphenyl)sulfonyl 3-methylpiperazine-1-carboxylate

Systemtic Name: (4-methylsulfonylphenyl)sulfonyl 3-methylpiperazine-1-carboxylate Openeye Name: (4-methylsulfonylphenyl)sulfonyl 3-methylpiperazine-1-carboxylate CAS Name: 3-methyl-1-piperazinecarboxylic acid (4-methylsulfonylphenyl)sulfonyl ester IUPAC Name: (4-methylsulfonylphenyl)sulfonyl 3-methylpiperazine-1-carboxylate Traditional Name: 3-methylpiperazine-1-carboxylic acid (4-mesylphenyl)sulfonyl ester Formula: C13H18N2O6S2 MolecularWeight: 362.42182

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C(=O)OS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC1CN(CCN1)C(=O)OS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C13H18N2O6S2/c1-10-9-15(8-7-14-10)13(16)21-23(19,20)12-5-3-11(4-6-12)22(2,17)18/h3-6,10,14H,7-9H2,1-2H3