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3-methyl-1-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonyl-3-oxidanyl-piperidine-2-carboxylic acid
3-methyl-1-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonyl-3-oxidanyl-piperidine-2-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
CC(C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2C(=O)O)(C)O)NC
Isomeric SMILES
CC(C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2C(=O)O)(C)O)NC
InChI
InChI=1S/C19H26N2O6S/c1-14(20-3)6-4-13-27-15-7-9-16(10-8-15)28(25,26)21-12-5-11-19(2,24)17(21)18(22)23/h7-10,14,17,20,24H,5,11-13H2,1-3H3,(H,22,23)
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