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

Systemtic Name: 4-ethanoyl-1-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-3-methyl-piperazine-2-carboxylic acid Openeye Name: 4-acetyl-1-[4-(1-ethylbut-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid CAS Name: 4-acetyl-1-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-3-methyl-2-piperazinecarboxylic acid IUPAC Name: 4-acetyl-1-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-3-methylpiperazine-2-carboxylic acid Traditional Name: 4-acetyl-1-[4-(1-ethylbut-2-ynoxy)phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid Formula: C20H26N2O6S MolecularWeight: 422.49524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC)OC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(C2C(=O)O)C)C(=O)C

Isomeric SMILES

CCC(C#CC)OC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(C2C(=O)O)C)C(=O)C

InChI

InChI=1S/C20H26N2O6S/c1-5-7-16(6-2)28-17-8-10-18(11-9-17)29(26,27)22-13-12-21(15(4)23)14(3)19(22)20(24)25/h8-11,14,16,19H,6,12-13H2,1-4H3,(H,24,25)