4-butyl-3-methyl-1-(4-methylphenyl)sulfonyl-5-(thiophen-2-ylmethyl)-2,3-dihydropyrrole

Systemtic Name: 4-butyl-3-methyl-1-(4-methylphenyl)sulfonyl-5-(thiophen-2-ylmethyl)-2,3-dihydropyrrole Openeye Name: 4-butyl-3-methyl-1-(p-tolylsulfonyl)-5-(2-thienylmethyl)-2,3-dihydropyrrole CAS Name: 4-butyl-3-methyl-1-(4-methylphenyl)sulfonyl-5-(thiophen-2-ylmethyl)-2,3-dihydropyrrole IUPAC Name: 4-butyl-3-methyl-1-(4-methylphenyl)sulfonyl-5-(thiophen-2-ylmethyl)-2,3-dihydropyrrole Traditional Name: 3-butyl-4-methyl-2-(2-thenyl)-1-tosyl-2-pyrroline Formula: C21H27NO2S2 MolecularWeight: 389.57458

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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=CS3

Isomeric SMILES

CCCCC1=C(N(CC1C)S(=O)(=O)C2=CC=C(C=C2)C)CC3=CC=CS3

InChI

InChI=1S/C21H27NO2S2/c1-4-5-8-20-17(3)15-22(21(20)14-18-7-6-13-25-18)26(23,24)19-11-9-16(2)10-12-19/h6-7,9-13,17H,4-5,8,14-15H2,1-3H3