5,6-dimethyl-8-[1-(4-methylphenyl)sulfonylindol-3-yl]naphthalene-1,4-dione

Systemtic Name: 5,6-dimethyl-8-[1-(4-methylphenyl)sulfonylindol-3-yl]naphthalene-1,4-dione Openeye Name: 5,6-dimethyl-8-[1-(p-tolylsulfonyl)indol-3-yl]naphthalene-1,4-dione CAS Name: 5,6-dimethyl-8-[1-(4-methylphenyl)sulfonyl-3-indolyl]naphthalene-1,4-dione IUPAC Name: 5,6-dimethyl-8-[1-(4-methylphenyl)sulfonylindol-3-yl]naphthalene-1,4-dione Traditional Name: 5,6-dimethyl-8-(1-tosylindol-3-yl)-1,4-naphthoquinone Formula: C27H21NO4S MolecularWeight: 455.52494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4=CC(=C(C5=C4C(=O)C=CC5=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4=CC(=C(C5=C4C(=O)C=CC5=O)C)C

InChI

InChI=1S/C27H21NO4S/c1-16-8-10-19(11-9-16)33(31,32)28-15-22(20-6-4-5-7-23(20)28)21-14-17(2)18(3)26-24(29)12-13-25(30)27(21)26/h4-15H,1-3H3