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1-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid
1-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
CC1C(N(CCN1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCOC)C(=O)O
Isomeric SMILES
CC1C(N(CCN1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCOC)C(=O)O
InChI
InChI=1S/C17H22N2O6S/c1-13-16(17(20)21)19(10-9-18-13)26(22,23)15-7-5-14(6-8-15)25-12-4-3-11-24-2/h5-8,13,16,18H,9-12H2,1-2H3,(H,20,21)
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