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

Systemtic Name: 2-[[4-butyl-3-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-5-yl]methyl]pyridine Openeye Name: 2-[[4-butyl-3-methyl-1-(p-tolylsulfonyl)-2,3-dihydropyrrol-5-yl]methyl]pyridine CAS Name: 2-[[4-butyl-3-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-5-yl]methyl]pyridine IUPAC Name: 2-[[4-butyl-3-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-5-yl]methyl]pyridine Traditional Name: 2-[(3-butyl-4-methyl-1-tosyl-2-pyrrolin-2-yl)methyl]pyridine Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(CC1C)S(=O)(=O)C2=CC=C(C=C2)C)CC3=CC=CC=N3

Isomeric SMILES

CCCCC1=C(N(CC1C)S(=O)(=O)C2=CC=C(C=C2)C)CC3=CC=CC=N3

InChI

InChI=1S/C22H28N2O2S/c1-4-5-9-21-18(3)16-24(22(21)15-19-8-6-7-14-23-19)27(25,26)20-12-10-17(2)11-13-20/h6-8,10-14,18H,4-5,9,15-16H2,1-3H3