2-[(3,4-dimethylphenyl)methyl]-3-phenylsulfanyl-1-(phenylsulfonyl)indole

Systemtic Name: 2-[(3,4-dimethylphenyl)methyl]-3-phenylsulfanyl-1-(phenylsulfonyl)indole Openeye Name: 1-(benzenesulfonyl)-2-[(3,4-dimethylphenyl)methyl]-3-phenylsulfanyl-indole CAS Name: 1-(benzenesulfonyl)-2-[(3,4-dimethylphenyl)methyl]-3-(phenylthio)indole IUPAC Name: 1-(benzenesulfonyl)-2-[(3,4-dimethylphenyl)methyl]-3-phenylsulfanylindole Traditional Name: 1-besyl-2-(3,4-dimethylbenzyl)-3-(phenylthio)indole Formula: C29H25NO2S2 MolecularWeight: 483.6443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=C(C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)SC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=C(C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)SC5=CC=CC=C5)C

InChI

InChI=1S/C29H25NO2S2/c1-21-17-18-23(19-22(21)2)20-28-29(33-24-11-5-3-6-12-24)26-15-9-10-16-27(26)30(28)34(31,32)25-13-7-4-8-14-25/h3-19H,20H2,1-2H3