1-but-2-ynoxy-2-(phenylsulfonyl)piperazine-2-carboxylic acid

Systemtic Name: 1-but-2-ynoxy-2-(phenylsulfonyl)piperazine-2-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-1-but-2-ynoxy-piperazine-2-carboxylic acid CAS Name: 2-(benzenesulfonyl)-1-but-2-ynoxy-2-piperazinecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-1-but-2-ynoxypiperazine-2-carboxylic acid Traditional Name: 2-besyl-1-but-2-ynoxy-piperazine-2-carboxylic acid Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCON1CCNCC1(C(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC#CCON1CCNCC1(C(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

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