N-[2-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-4-oxidanylidene-chromen-6-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-4-oxidanylidene-chromen-6-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzenesulfonamide Openeye Name: N-[2-(3,4-dihydroxyphenyl)-3-hydroxy-4-oxo-chromen-6-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzenesulfonamide CAS Name: N-[2-(3,4-dihydroxyphenyl)-3-hydroxy-4-oxo-1-benzopyran-6-yl]-4-(4-methyl-1-piperazinyl)-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(3,4-dihydroxyphenyl)-3-hydroxy-4-oxochromen-6-yl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzenesulfonamide Traditional Name: N-[2-(3,4-dihydroxyphenyl)-3-hydroxy-4-keto-chromen-6-yl]-4-(4-methylpiperazino)-3-nitro-benzenesulfonamide Formula: C26H24N4O9S MolecularWeight: 568.55516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3)OC(=C(C4=O)O)C5=CC(=C(C=C5)O)O)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3)OC(=C(C4=O)O)C5=CC(=C(C=C5)O)O)[N+](=O)[O-]

InChI

InChI=1S/C26H24N4O9S/c1-28-8-10-29(11-9-28)19-5-4-17(14-20(19)30(35)36)40(37,38)27-16-3-7-23-18(13-16)24(33)25(34)26(39-23)15-2-6-21(31)22(32)12-15/h2-7,12-14,27,31-32,34H,8-11H2,1H3