3-methyl-5-oxidanylidene-1-(4-pent-2-ynoxyphenyl)sulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 3-methyl-5-oxidanylidene-1-(4-pent-2-ynoxyphenyl)sulfonyl-piperazine-2-carboxylic acid Openeye Name: 3-methyl-5-oxo-1-(4-pent-2-ynoxyphenyl)sulfonyl-piperazine-2-carboxylic acid CAS Name: 3-methyl-5-oxo-1-(4-pent-2-ynoxyphenyl)sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 3-methyl-5-oxo-1-(4-pent-2-ynoxyphenyl)sulfonylpiperazine-2-carboxylic acid Traditional Name: 5-keto-3-methyl-1-(4-pent-2-ynoxyphenyl)sulfonyl-piperazine-2-carboxylic acid Formula: C17H20N2O6S MolecularWeight: 380.4155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O6S/c1-3-4-5-10-25-13-6-8-14(9-7-13)26(23,24)19-11-15(20)18-12(2)16(19)17(21)22/h6-9,12,16H,3,10-11H2,1-2H3,(H,18,20)(H,21,22)