1-(4-methoxyphenyl)sulfonyl-3-methyl-4-methylsulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-3-methyl-4-methylsulfonyl-piperazine-2-carboxylic acid Openeye Name: 1-(4-methoxyphenyl)sulfonyl-3-methyl-4-methylsulfonyl-piperazine-2-carboxylic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-3-methyl-4-methylsulfonyl-2-piperazinecarboxylic acid IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-3-methyl-4-methylsulfonylpiperazine-2-carboxylic acid Traditional Name: 4-mesyl-1-(4-methoxyphenyl)sulfonyl-3-methyl-piperazine-2-carboxylic acid Formula: C14H20N2O7S2 MolecularWeight: 392.4478

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1S(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC1C(N(CCN1S(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C14H20N2O7S2/c1-10-13(14(17)18)16(9-8-15(10)24(3,19)20)25(21,22)12-6-4-11(23-2)5-7-12/h4-7,10,13H,8-9H2,1-3H3,(H,17,18)