1-(phenylsulfonyl)-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]indole

Systemtic Name: 1-(phenylsulfonyl)-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]indole Openeye Name: 1-(benzenesulfonyl)-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]indole CAS Name: 1-(benzenesulfonyl)-3-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylthio]methyl]indole IUPAC Name: 1-(benzenesulfonyl)-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]indole Traditional Name: 1-besyl-3-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylthio]methyl]indole Formula: C28H28N2O2S2 MolecularWeight: 488.66412

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(N1)CCSCC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C=C(CC(N1)CCSCC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N2O2S2/c31-34(32,26-11-5-2-6-12-26)30-20-24(27-13-7-8-14-28(27)30)21-33-18-16-25-19-23(15-17-29-25)22-9-3-1-4-10-22/h1-15,20,25,29H,16-19,21H2