N-[4-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-[[4-(2-furylmethyl)piperazin-1-yl]methyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[[4-(2-furanylmethyl)-1-piperazinyl]methyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-[[4-(2-furfuryl)piperazino]methyl]phenyl]-3-nitro-benzenesulfonamide Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])CC4=CC=CO4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])CC4=CC=CO4

InChI

InChI=1S/C22H24N4O5S/c27-26(28)20-3-1-5-22(15-20)32(29,30)23-19-8-6-18(7-9-19)16-24-10-12-25(13-11-24)17-21-4-2-14-31-21/h1-9,14-15,23H,10-13,16-17H2