1-(5-butyl-3,4-dihydro-2H-pyrrol-2-yl)-3-(phenylsulfonyl)hex-5-en-2-one

Systemtic Name: 1-(5-butyl-3,4-dihydro-2H-pyrrol-2-yl)-3-(phenylsulfonyl)hex-5-en-2-one Openeye Name: 3-(benzenesulfonyl)-1-(5-butyl-3,4-dihydro-2H-pyrrol-2-yl)hex-5-en-2-one CAS Name: 3-(benzenesulfonyl)-1-(5-butyl-3,4-dihydro-2H-pyrrol-2-yl)-5-hexen-2-one IUPAC Name: 3-(benzenesulfonyl)-1-(5-butyl-3,4-dihydro-2H-pyrrol-2-yl)hex-5-en-2-one Traditional Name: 3-besyl-1-(5-butyl-1-pyrrolin-2-yl)hex-5-en-2-one Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(CC1)CC(=O)C(CC=C)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=NC(CC1)CC(=O)C(CC=C)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H27NO3S/c1-3-5-10-16-13-14-17(21-16)15-19(22)20(9-4-2)25(23,24)18-11-7-6-8-12-18/h4,6-8,11-12,17,20H,2-3,5,9-10,13-15H2,1H3