1-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]butan-1-one

Systemtic Name: 1-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]butan-1-one Openeye Name: 1-[4-methyl-1-(p-tolylsulfonyl)-2,5-dihydropyrrol-3-yl]butan-1-one CAS Name: 1-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-butanone IUPAC Name: 1-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]butan-1-one Traditional Name: 1-(4-methyl-1-tosyl-3-pyrrolin-3-yl)butan-1-one Formula: C16H21NO3S MolecularWeight: 307.40784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3S/c1-4-5-16(18)15-11-17(10-13(15)3)21(19,20)14-8-6-12(2)7-9-14/h6-9H,4-5,10-11H2,1-3H3