1-[1-(phenylsulfonyl)pyrrol-3-yl]hexan-1-one

Systemtic Name: 1-[1-(phenylsulfonyl)pyrrol-3-yl]hexan-1-one Openeye Name: 1-[1-(benzenesulfonyl)pyrrol-3-yl]hexan-1-one CAS Name: 1-[1-(benzenesulfonyl)-3-pyrrolyl]-1-hexanone IUPAC Name: 1-[1-(benzenesulfonyl)pyrrol-3-yl]hexan-1-one Traditional Name: 1-(1-besylpyrrol-3-yl)hexan-1-one Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H19NO3S/c1-2-3-5-10-16(18)14-11-12-17(13-14)21(19,20)15-8-6-4-7-9-15/h4,6-9,11-13H,2-3,5,10H2,1H3