4-(1-benzothiophen-7-yl)-1-[3-(4-methylphenyl)sulfonyl-3-phenyl-propyl]-2,3-dihydropyrrole

Systemtic Name: 4-(1-benzothiophen-7-yl)-1-[3-(4-methylphenyl)sulfonyl-3-phenyl-propyl]-2,3-dihydropyrrole Openeye Name: 4-(benzothiophen-7-yl)-1-[3-phenyl-3-(p-tolylsulfonyl)propyl]-2,3-dihydropyrrole CAS Name: 4-(1-benzothiophen-7-yl)-1-[3-(4-methylphenyl)sulfonyl-3-phenylpropyl]-2,3-dihydropyrrole IUPAC Name: 4-(1-benzothiophen-7-yl)-1-[3-(4-methylphenyl)sulfonyl-3-phenylpropyl]-2,3-dihydropyrrole Traditional Name: 3-(benzothiophen-7-yl)-1-(3-phenyl-3-tosyl-propyl)-2-pyrroline Formula: C28H27NO2S2 MolecularWeight: 473.64948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCN2CCC(=C2)C3=CC=CC4=C3SC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCN2CCC(=C2)C3=CC=CC4=C3SC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27NO2S2/c1-21-10-12-25(13-11-21)33(30,31)27(22-6-3-2-4-7-22)15-18-29-17-14-24(20-29)26-9-5-8-23-16-19-32-28(23)26/h2-13,16,19-20,27H,14-15,17-18H2,1H3