(NZ)-N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-phenyl-methylidene]-4-chloranyl-3-nitro-benzenesulfonamide

Systemtic Name: (NZ)-N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-phenyl-methylidene]-4-chloranyl-3-nitro-benzenesulfonamide Openeye Name: (NZ)-N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-phenyl-methylene]-4-chloro-3-nitro-benzenesulfonamide CAS Name: (NZ)-N-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-phenylmethylidene]-4-chloro-3-nitrobenzenesulfonamide IUPAC Name: (NZ)-N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-phenylmethylidene]-4-chloro-3-nitrobenzenesulfonamide Traditional Name: (NZ)-4-chloro-3-nitro-N-[phenyl-(4-piperonylpiperazino)methylene]benzenesulfonamide Formula: C25H23ClN4O6S MolecularWeight: 542.99132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)/C(=N\S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])/C5=CC=CC=C5

InChI

InChI=1S/C25H23ClN4O6S/c26-21-8-7-20(15-22(21)30(31)32)37(33,34)27-25(19-4-2-1-3-5-19)29-12-10-28(11-13-29)16-18-6-9-23-24(14-18)36-17-35-23/h1-9,14-15H,10-13,16-17H2/b27-25-