1-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3-methyl-4-methylsulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 1-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3-methyl-4-methylsulfonyl-piperazine-2-carboxylic acid Openeye Name: 1-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3-methyl-4-methylsulfonyl-piperazine-2-carboxylic acid CAS Name: 1-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3-methyl-4-methylsulfonyl-2-piperazinecarboxylic acid IUPAC Name: 1-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3-methyl-4-methylsulfonylpiperazine-2-carboxylic acid Traditional Name: 4-mesyl-1-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid Formula: C18H24N2O8S2 MolecularWeight: 460.52176

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1S(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC#CCOC)C(=O)O

Isomeric SMILES

CC1C(N(CCN1S(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC#CCOC)C(=O)O

InChI

InChI=1S/C18H24N2O8S2/c1-14-17(18(21)22)20(11-10-19(14)29(3,23)24)30(25,26)16-8-6-15(7-9-16)28-13-5-4-12-27-2/h6-9,14,17H,10-13H2,1-3H3,(H,21,22)