2-but-2-ynyl-2-[4-(4-oxidanylidenepiperidin-1-yl)phenyl]sulfonyl-hex-4-ynoic acid

Systemtic Name: 2-but-2-ynyl-2-[4-(4-oxidanylidenepiperidin-1-yl)phenyl]sulfonyl-hex-4-ynoic acid Openeye Name: 2-but-2-ynyl-2-[4-(4-oxo-1-piperidyl)phenyl]sulfonyl-hex-4-ynoic acid CAS Name: 2-but-2-ynyl-2-[4-(4-oxo-1-piperidinyl)phenyl]sulfonyl-4-hexynoic acid IUPAC Name: 2-but-2-ynyl-2-[4-(4-oxopiperidin-1-yl)phenyl]sulfonylhex-4-ynoic acid Traditional Name: 2-but-2-ynyl-2-[4-(4-ketopiperidino)phenyl]sulfonyl-hex-4-ynoic acid Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(CC#CC)(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)N2CCC(=O)CC2

Isomeric SMILES

CC#CCC(CC#CC)(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)N2CCC(=O)CC2

InChI

InChI=1S/C21H23NO5S/c1-3-5-13-21(20(24)25,14-6-4-2)28(26,27)19-9-7-17(8-10-19)22-15-11-18(23)12-16-22/h7-10H,11-16H2,1-2H3,(H,24,25)