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

Systemtic Name: N-[[3-phenylsulfanyl-1-(phenylsulfonyl)indol-2-yl]methyl]aniline Openeye Name: N-[[1-(benzenesulfonyl)-3-phenylsulfanyl-indol-2-yl]methyl]aniline CAS Name: N-[[1-(benzenesulfonyl)-3-(phenylthio)-2-indolyl]methyl]aniline IUPAC Name: N-[[1-(benzenesulfonyl)-3-phenylsulfanylindol-2-yl]methyl]aniline Traditional Name: [1-besyl-3-(phenylthio)indol-2-yl]methyl-phenyl-amine Formula: C27H22N2O2S2 MolecularWeight: 470.60578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22N2O2S2/c30-33(31,23-16-8-3-9-17-23)29-25-19-11-10-18-24(25)27(32-22-14-6-2-7-15-22)26(29)20-28-21-12-4-1-5-13-21/h1-19,28H,20H2