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

Systemtic Name: (E)-4-methyl-1-[2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-5-yl]pent-2-en-1-one Openeye Name: (E)-4-methyl-1-[2-methyl-1-(p-tolylsulfonyl)-2,3-dihydropyrrol-5-yl]pent-2-en-1-one CAS Name: (E)-4-methyl-1-[2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-5-yl]-2-penten-1-one IUPAC Name: (E)-4-methyl-1-[2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-5-yl]pent-2-en-1-one Traditional Name: (E)-4-methyl-1-(5-methyl-1-tosyl-2-pyrrolin-2-yl)pent-2-en-1-one Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=C(N1S(=O)(=O)C2=CC=C(C=C2)C)C(=O)C=CC(C)C

Isomeric SMILES

CC1CC=C(N1S(=O)(=O)C2=CC=C(C=C2)C)C(=O)/C=C/C(C)C

InChI

InChI=1S/C18H23NO3S/c1-13(2)5-12-18(20)17-11-8-15(4)19(17)23(21,22)16-9-6-14(3)7-10-16/h5-7,9-13,15H,8H2,1-4H3/b12-5+