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3-methyl-1-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid
3-methyl-1-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonyl-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#CC(C)NC)C(=O)O
Isomeric SMILES
CC1C(N(CCN1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC(C)NC)C(=O)O
InChI
InChI=1S/C18H25N3O5S/c1-13(19-3)5-4-12-26-15-6-8-16(9-7-15)27(24,25)21-11-10-20-14(2)17(21)18(22)23/h6-9,13-14,17,19-20H,10-12H2,1-3H3,(H,22,23)
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