9-[4-[4-[4-[(4-dimethylaminophenyl)diazenyl]phenyl]sulfonylpiperazin-1-yl]carbonyl-2-methyl-phenyl]-6-oxidanyl-xanthen-3-one

Systemtic Name: 9-[4-[4-[4-[(4-dimethylaminophenyl)diazenyl]phenyl]sulfonylpiperazin-1-yl]carbonyl-2-methyl-phenyl]-6-oxidanyl-xanthen-3-one Openeye Name: 9-[4-[4-[4-(4-dimethylaminophenyl)azophenyl]sulfonylpiperazine-1-carbonyl]-2-methyl-phenyl]-6-hydroxy-xanthen-3-one CAS Name: 9-[4-[[4-[4-(4-dimethylaminophenyl)azophenyl]sulfonyl-1-piperazinyl]-oxomethyl]-2-methylphenyl]-6-hydroxy-3-xanthenone IUPAC Name: 9-[4-[4-[4-[(4-dimethylaminophenyl)diazenyl]phenyl]sulfonylpiperazine-1-carbonyl]-2-methylphenyl]-6-hydroxyxanthen-3-one Traditional Name: 9-[4-[4-[4-(4-dimethylaminophenyl)azophenyl]sulfonylpiperazine-1-carbonyl]-2-methyl-phenyl]-6-hydroxy-fluorone Formula: C39H35N5O6S MolecularWeight: 701.7901

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N=NC4=CC=C(C=C4)N(C)C)C5=C6C=CC(=O)C=C6OC7=C5C=CC(=C7)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N=NC4=CC=C(C=C4)N(C)C)C5=C6C=CC(=O)C=C6OC7=C5C=CC(=C7)O

InChI

InChI=1S/C39H35N5O6S/c1-25-22-26(4-15-33(25)38-34-16-11-30(45)23-36(34)50-37-24-31(46)12-17-35(37)38)39(47)43-18-20-44(21-19-43)51(48,49)32-13-7-28(8-14-32)41-40-27-5-9-29(10-6-27)42(2)3/h4-17,22-24,45H,18-21H2,1-3H3