3-methyl-1-(4-methylphenyl)sulfonyl-4-(phenylmethylsulfanyl)indole-6,7-diol

Systemtic Name: 3-methyl-1-(4-methylphenyl)sulfonyl-4-(phenylmethylsulfanyl)indole-6,7-diol Openeye Name: 4-benzylsulfanyl-3-methyl-1-(p-tolylsulfonyl)indole-6,7-diol CAS Name: 3-methyl-1-(4-methylphenyl)sulfonyl-4-(phenylmethylthio)indole-6,7-diol IUPAC Name: 4-benzylsulfanyl-3-methyl-1-(4-methylphenyl)sulfonylindole-6,7-diol Traditional Name: 4-(benzylthio)-3-methyl-1-tosyl-indole-6,7-diol Formula: C23H21NO4S2 MolecularWeight: 439.54714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=C(C(=C32)O)O)SCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=C(C(=C32)O)O)SCC4=CC=CC=C4)C

InChI

InChI=1S/C23H21NO4S2/c1-15-8-10-18(11-9-15)30(27,28)24-13-16(2)21-20(12-19(25)23(26)22(21)24)29-14-17-6-4-3-5-7-17/h3-13,25-26H,14H2,1-2H3