N-[2-(1,3-benzodioxol-5-yl)-3-oxidanyl-4-oxidanylidene-chromen-6-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-3-oxidanyl-4-oxidanylidene-chromen-6-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzenesulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-3-hydroxy-4-oxo-chromen-6-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzenesulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-3-hydroxy-4-oxo-1-benzopyran-6-yl]-4-(4-methyl-1-piperazinyl)-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-3-hydroxy-4-oxochromen-6-yl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzenesulfonamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-3-hydroxy-4-keto-chromen-6-yl]-4-(4-methylpiperazino)-3-nitro-benzenesulfonamide Formula: C27H24N4O9S MolecularWeight: 580.56586

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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=CC6=C(C=C5)OCO6)[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=CC6=C(C=C5)OCO6)[N+](=O)[O-]

InChI

InChI=1S/C27H24N4O9S/c1-29-8-10-30(11-9-29)20-5-4-18(14-21(20)31(34)35)41(36,37)28-17-3-7-22-19(13-17)25(32)26(33)27(40-22)16-2-6-23-24(12-16)39-15-38-23/h2-7,12-14,28,33H,8-11,15H2,1H3