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2-methyl-4-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonyl-piperazine-1,3-dicarboxylic acid

2-methyl-4-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonyl-piperazine-1,3-dicarboxylic acid

Systemtic Name:2-methyl-4-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonyl-piperazine-1,3-dicarboxylic acid
Openeye Name:2-methyl-4-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonyl-piperazine-1,3-dicarboxylic acid
CAS Name:2-methyl-4-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonylpiperazine-1,3-dicarboxylic acid
IUPAC Name:2-methyl-4-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonylpiperazine-1,3-dicarboxylic acid
Traditional Name:2-methyl-4-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonyl-piperazine-1,3-dicarboxylic acid
Formula: C19H25N3O7S
MolecularWeight: 439.4827
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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC#CC(C)NC)C(=O)O


Isomeric SMILES

CC1C(N(CCN1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC#CC(C)NC)C(=O)O


InChI

InChI=1S/C19H25N3O7S/c1-13(20-3)5-4-12-29-15-6-8-16(9-7-15)30(27,28)22-11-10-21(19(25)26)14(2)17(22)18(23)24/h6-9,13-14,17,20H,10-12H2,1-3H3,(H,23,24)(H,25,26)


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