(2S,5S)-5-butyl-3-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydropyrrole

Systemtic Name: (2S,5S)-5-butyl-3-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydropyrrole Openeye Name: (2S,5S)-5-butyl-3-methoxy-2-phenyl-1-(p-tolylsulfonyl)-2,5-dihydropyrrole CAS Name: (2S,5S)-5-butyl-3-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydropyrrole IUPAC Name: (2S,5S)-5-butyl-3-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydropyrrole Traditional Name: (2S,5S)-5-butyl-3-methoxy-2-phenyl-1-tosyl-3-pyrroline Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C=C(C(N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3)OC

Isomeric SMILES

CCCC[C@H]1C=C([C@@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H27NO3S/c1-4-5-11-19-16-21(26-3)22(18-9-7-6-8-10-18)23(19)27(24,25)20-14-12-17(2)13-15-20/h6-10,12-16,19,22H,4-5,11H2,1-3H3/t19-,22-/m0/s1