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

Systemtic Name: 1-[4-(4-azanylpent-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid Openeye Name: 1-[4-(4-aminopent-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid CAS Name: 1-[4-(4-aminopent-2-ynoxy)phenyl]sulfonyl-3-methyl-2-piperazinecarboxylic acid IUPAC Name: 1-[4-(4-aminopent-2-ynoxy)phenyl]sulfonyl-3-methylpiperazine-2-carboxylic acid Traditional Name: 1-[4-(4-aminopent-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC(C)N)C(=O)O

Isomeric SMILES

CC1C(N(CCN1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC(C)N)C(=O)O

InChI

InChI=1S/C17H23N3O5S/c1-12(18)4-3-11-25-14-5-7-15(8-6-14)26(23,24)20-10-9-19-13(2)16(20)17(21)22/h5-8,12-13,16,19H,9-11,18H2,1-2H3,(H,21,22)