1-(4-but-2-ynoxyphenyl)sulfonylpiperazine-2-carboxylic acid

Systemtic Name: 1-(4-but-2-ynoxyphenyl)sulfonylpiperazine-2-carboxylic acid Openeye Name: 1-(4-but-2-ynoxyphenyl)sulfonylpiperazine-2-carboxylic acid CAS Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 1-(4-but-2-ynoxyphenyl)sulfonylpiperazine-2-carboxylic acid Traditional Name: 1-(4-but-2-ynoxyphenyl)sulfonylpiperazine-2-carboxylic acid Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCNCC2C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCNCC2C(=O)O

InChI

InChI=1S/C15H18N2O5S/c1-2-3-10-22-12-4-6-13(7-5-12)23(20,21)17-9-8-16-11-14(17)15(18)19/h4-7,14,16H,8-11H2,1H3,(H,18,19)