N-[4-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[4-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[4-[[4-(2-furylmethyl)piperazin-1-yl]methyl]phenyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[4-[[4-(2-furanylmethyl)-1-piperazinyl]methyl]phenyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[4-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[4-[[4-(2-furfuryl)piperazino]methyl]phenyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)CN3CCN(CC3)CC4=CC=CO4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)CN3CCN(CC3)CC4=CC=CO4

InChI

InChI=1S/C23H26N4O5S/c1-18-4-9-21(27(28)29)15-23(18)33(30,31)24-20-7-5-19(6-8-20)16-25-10-12-26(13-11-25)17-22-3-2-14-32-22/h2-9,14-15,24H,10-13,16-17H2,1H3