7-[(2S)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-2-yl]hept-1-en-4-one

Systemtic Name: 7-[(2S)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-2-yl]hept-1-en-4-one Openeye Name: 7-[(2S)-1-(p-tolylsulfonyl)-2,5-dihydropyrrol-2-yl]hept-1-en-4-one CAS Name: 7-[(2S)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-2-yl]-1-hepten-4-one IUPAC Name: 7-[(2S)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-2-yl]hept-1-en-4-one Traditional Name: 7-[(2S)-1-tosyl-3-pyrrolin-2-yl]hept-1-en-4-one Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC=CC2CCCC(=O)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C[C@@H]2CCCC(=O)CC=C

InChI

InChI=1S/C18H23NO3S/c1-3-6-17(20)9-4-7-16-8-5-14-19(16)23(21,22)18-12-10-15(2)11-13-18/h3,5,8,10-13,16H,1,4,6-7,9,14H2,2H3/t16-/m0/s1