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2-[(4-but-2-ynoxyphenyl)sulfonyl-[3-(diethylamino)propyl]amino]-3-methyl-butanoic acid
2-[(4-but-2-ynoxyphenyl)sulfonyl-[3-(diethylamino)propyl]amino]-3-methyl-butanoic acid
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Canonical SMILES:
CCN(CC)CCCN(C(C(C)C)C(=O)O)S(=O)(=O)C1=CC=C(C=C1)OCC#CC
Isomeric SMILES
CCN(CC)CCCN(C(C(C)C)C(=O)O)S(=O)(=O)C1=CC=C(C=C1)OCC#CC
InChI
InChI=1S/C22H34N2O5S/c1-6-9-17-29-19-11-13-20(14-12-19)30(27,28)24(21(18(4)5)22(25)26)16-10-15-23(7-2)8-3/h11-14,18,21H,7-8,10,15-17H2,1-5H3,(H,25,26)
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