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

Systemtic Name: 3-methyl-1-(4-pent-3-yn-2-yloxyphenyl)sulfonyl-piperazine-2-carboxylic acid Openeye Name: 3-methyl-1-[4-(1-methylbut-2-ynoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid CAS Name: 3-methyl-1-(4-pent-3-yn-2-yloxyphenyl)sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 3-methyl-1-(4-pent-3-yn-2-yloxyphenyl)sulfonylpiperazine-2-carboxylic acid Traditional Name: 3-methyl-1-[4-(1-methylbut-2-ynoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5S/c1-4-5-12(2)24-14-6-8-15(9-7-14)25(22,23)19-11-10-18-13(3)16(19)17(20)21/h6-9,12-13,16,18H,10-11H2,1-3H3,(H,20,21)