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

Systemtic Name: 3-methyl-1-[4-(4-oxidanylhex-2-ynoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid Openeye Name: 1-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid CAS Name: 1-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-3-methyl-2-piperazinecarboxylic acid IUPAC Name: 1-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-3-methylpiperazine-2-carboxylic acid Traditional Name: 1-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCNC(C2C(=O)O)C)O

Isomeric SMILES

CCC(C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCNC(C2C(=O)O)C)O

InChI

InChI=1S/C18H24N2O6S/c1-3-14(21)5-4-12-26-15-6-8-16(9-7-15)27(24,25)20-11-10-19-13(2)17(20)18(22)23/h6-9,13-14,17,19,21H,3,10-12H2,1-2H3,(H,22,23)