4-methoxy-N-[[3-phenylsulfanyl-1-(phenylsulfonyl)indol-2-yl]methyl]aniline

Systemtic Name: 4-methoxy-N-[[3-phenylsulfanyl-1-(phenylsulfonyl)indol-2-yl]methyl]aniline Openeye Name: N-[[1-(benzenesulfonyl)-3-phenylsulfanyl-indol-2-yl]methyl]-4-methoxy-aniline CAS Name: N-[[1-(benzenesulfonyl)-3-(phenylthio)-2-indolyl]methyl]-4-methoxyaniline IUPAC Name: N-[[1-(benzenesulfonyl)-3-phenylsulfanylindol-2-yl]methyl]-4-methoxyaniline Traditional Name: [1-besyl-3-(phenylthio)indol-2-yl]methyl-(4-methoxyphenyl)amine Formula: C28H24N2O3S2 MolecularWeight: 500.63176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NCC2=C(C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)NCC2=C(C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C28H24N2O3S2/c1-33-22-18-16-21(17-19-22)29-20-27-28(34-23-10-4-2-5-11-23)25-14-8-9-15-26(25)30(27)35(31,32)24-12-6-3-7-13-24/h2-19,29H,20H2,1H3