N-[4-azanyl-9,10-bis(oxidanylidene)-3-phenylsulfanyl-anthracen-1-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-azanyl-9,10-bis(oxidanylidene)-3-phenylsulfanyl-anthracen-1-yl]-4-methyl-benzenesulfonamide Openeye Name: N-(4-amino-9,10-dioxo-3-phenylsulfanyl-1-anthryl)-4-methyl-benzenesulfonamide CAS Name: N-[4-amino-9,10-dioxo-3-(phenylthio)-1-anthracenyl]-4-methylbenzenesulfonamide IUPAC Name: N-(4-amino-9,10-dioxo-3-phenylsulfanylanthracen-1-yl)-4-methylbenzenesulfonamide Traditional Name: N-[4-amino-9,10-diketo-3-(phenylthio)-1-anthryl]-4-methyl-benzenesulfonamide Formula: C27H20N2O4S2 MolecularWeight: 500.5887

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)SC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)SC5=CC=CC=C5

InChI

InChI=1S/C27H20N2O4S2/c1-16-11-13-18(14-12-16)35(32,33)29-21-15-22(34-17-7-3-2-4-8-17)25(28)24-23(21)26(30)19-9-5-6-10-20(19)27(24)31/h2-15,29H,28H2,1H3