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

Systemtic Name: 4-ethanoyl-3-methyl-1-[4-(4-oxidanylhex-2-ynoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid Openeye Name: 4-acetyl-1-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid CAS Name: 4-acetyl-1-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-3-methyl-2-piperazinecarboxylic acid IUPAC Name: 4-acetyl-1-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-3-methylpiperazine-2-carboxylic acid Traditional Name: 4-acetyl-1-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid Formula: C20H26N2O7S MolecularWeight: 438.49464

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(C2C(=O)O)C)C(=O)C)O

Isomeric SMILES

CCC(C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(C2C(=O)O)C)C(=O)C)O

InChI

InChI=1S/C20H26N2O7S/c1-4-16(24)6-5-13-29-17-7-9-18(10-8-17)30(27,28)22-12-11-21(15(3)23)14(2)19(22)20(25)26/h7-10,14,16,19,24H,4,11-13H2,1-3H3,(H,25,26)