methyl 3-[2-[4-ethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-3-yl]ethyl]benzoate

Systemtic Name: methyl 3-[2-[4-ethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-3-yl]ethyl]benzoate Openeye Name: methyl 3-[2-[4-ethyl-1-(p-tolylsulfonyl)-2,3-dihydropyrrol-3-yl]ethyl]benzoate CAS Name: 3-[2-[4-ethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-3-yl]ethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[4-ethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-3-yl]ethyl]benzoate Traditional Name: 3-[2-(4-ethyl-1-tosyl-2-pyrrolin-3-yl)ethyl]benzoic acid methyl ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(CC1CCC2=CC=CC(=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CN(CC1CCC2=CC=CC(=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H27NO4S/c1-4-19-15-24(29(26,27)22-12-8-17(2)9-13-22)16-21(19)11-10-18-6-5-7-20(14-18)23(25)28-3/h5-9,12-15,21H,4,10-11,16H2,1-3H3