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1-[4-[4-[ethyl(methyl)amino]pent-2-ynoxy]phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid
1-[4-[4-[ethyl(methyl)amino]pent-2-ynoxy]phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
CCN(C)C(C)C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCNC(C2C(=O)O)C
Isomeric SMILES
CCN(C)C(C)C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCNC(C2C(=O)O)C
InChI
InChI=1S/C20H29N3O5S/c1-5-22(4)15(2)7-6-14-28-17-8-10-18(11-9-17)29(26,27)23-13-12-21-16(3)19(23)20(24)25/h8-11,15-16,19,21H,5,12-14H2,1-4H3,(H,24,25)
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