3-methyl-1-[4-(4-oxidanylhex-2-ynoxy)phenyl]sulfonyl-5-oxidanylidene-piperazine-2-carboxylic acid

Systemtic Name: 3-methyl-1-[4-(4-oxidanylhex-2-ynoxy)phenyl]sulfonyl-5-oxidanylidene-piperazine-2-carboxylic acid Openeye Name: 1-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-3-methyl-5-oxo-piperazine-2-carboxylic acid CAS Name: 1-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-3-methyl-5-oxo-2-piperazinecarboxylic acid IUPAC Name: 1-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-3-methyl-5-oxopiperazine-2-carboxylic acid Traditional Name: 1-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-5-keto-3-methyl-piperazine-2-carboxylic acid Formula: C18H22N2O7S MolecularWeight: 410.44148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)NC(C2C(=O)O)C)O

Isomeric SMILES

CCC(C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)NC(C2C(=O)O)C)O

InChI

InChI=1S/C18H22N2O7S/c1-3-13(21)5-4-10-27-14-6-8-15(9-7-14)28(25,26)20-11-16(22)19-12(2)17(20)18(23)24/h6-9,12-13,17,21H,3,10-11H2,1-2H3,(H,19,22)(H,23,24)