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

Systemtic Name: 3-methyl-1-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonyl-4-methylsulfonyl-piperazine-2-carboxylic acid Openeye Name: 3-methyl-1-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonyl-4-methylsulfonyl-piperazine-2-carboxylic acid CAS Name: 3-methyl-1-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonyl-4-methylsulfonyl-2-piperazinecarboxylic acid IUPAC Name: 3-methyl-1-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonyl-4-methylsulfonylpiperazine-2-carboxylic acid Traditional Name: 4-mesyl-3-methyl-1-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid Formula: C19H27N3O7S2 MolecularWeight: 473.56358

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1S(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC#CC(C)NC)C(=O)O

Isomeric SMILES

CC1C(N(CCN1S(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC#CC(C)NC)C(=O)O

InChI

InChI=1S/C19H27N3O7S2/c1-14(20-3)6-5-13-29-16-7-9-17(10-8-16)31(27,28)22-12-11-21(30(4,25)26)15(2)18(22)19(23)24/h7-10,14-15,18,20H,11-13H2,1-4H3,(H,23,24)