3-(2-methylsulfonylethanoyl)-1-[(E)-oct-5-en-3-yl]quinolin-4-one hydrochloride

Systemtic Name: 3-(2-methylsulfonylethanoyl)-1-[(E)-oct-5-en-3-yl]quinolin-4-one hydrochloride Openeye Name: 1-[(E)-1-ethylhex-3-enyl]-3-(2-methylsulfonylacetyl)quinolin-4-one hydrochloride CAS Name: 3-(2-methylsulfonyl-1-oxoethyl)-1-[(E)-oct-5-en-3-yl]-4-quinolinone hydrochloride IUPAC Name: 3-(2-methylsulfonylacetyl)-1-[(E)-oct-5-en-3-yl]quinolin-4-one hydrochloride Traditional Name: 1-[(E)-1-ethylhex-3-enyl]-3-(2-mesylacetyl)-4-quinolone hydrochloride Formula: C20H26ClNO4S MolecularWeight: 411.94274

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC(CC)N1C=C(C(=O)C2=CC=CC=C21)C(=O)CS(=O)(=O)C.Cl

Isomeric SMILES

CC/C=C/CC(CC)N1C=C(C(=O)C2=CC=CC=C21)C(=O)CS(=O)(=O)C.Cl

InChI

InChI=1S/C20H25NO4S.ClH/c1-4-6-7-10-15(5-2)21-13-17(19(22)14-26(3,24)25)20(23)16-11-8-9-12-18(16)21;/h6-9,11-13,15H,4-5,10,14H2,1-3H3;1H/b7-6+;