3-[(5S)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]propanal

Systemtic Name: 3-[(5S)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]propanal Openeye Name: 3-[(5S)-5-(4-fluorophenyl)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]propanal CAS Name: 3-[(5S)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]propanal IUPAC Name: 3-[(5S)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propanal Traditional Name: 3-[(5S)-5-(4-fluorophenyl)-1-tosyl-pyrrolidin-2-yl]propionaldehyde Formula: C20H22FNO3S MolecularWeight: 375.456983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2C3=CC=C(C=C3)F)CCC=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](CCC2CCC=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FNO3S/c1-15-4-11-19(12-5-15)26(24,25)22-18(3-2-14-23)10-13-20(22)16-6-8-17(21)9-7-16/h4-9,11-12,14,18,20H,2-3,10,13H2,1H3/t18?,20-/m0/s1