1-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-3-methyl-piperazine-2-carboxylic acid

Systemtic Name: 1-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-3-methyl-piperazine-2-carboxylic acid Openeye Name: 1-[4-(1-ethylbut-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid CAS Name: 1-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-3-methyl-2-piperazinecarboxylic acid IUPAC Name: 1-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-3-methylpiperazine-2-carboxylic acid Traditional Name: 1-[4-(1-ethylbut-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC)OC1=CC=C(C=C1)S(=O)(=O)N2CCNC(C2C(=O)O)C

Isomeric SMILES

CCC(C#CC)OC1=CC=C(C=C1)S(=O)(=O)N2CCNC(C2C(=O)O)C

InChI

InChI=1S/C18H24N2O5S/c1-4-6-14(5-2)25-15-7-9-16(10-8-15)26(23,24)20-12-11-19-13(3)17(20)18(21)22/h7-10,13-14,17,19H,5,11-12H2,1-3H3,(H,21,22)