N,N-diethyl-4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[4-(3-fluoro-4-methoxy-benzyl)piperazino]-3-nitro-benzenesulfonamide Formula: C22H29FN4O5S MolecularWeight: 480.552863

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F)[N+](=O)[O-]

InChI

InChI=1S/C22H29FN4O5S/c1-4-26(5-2)33(30,31)18-7-8-20(21(15-18)27(28)29)25-12-10-24(11-13-25)16-17-6-9-22(32-3)19(23)14-17/h6-9,14-15H,4-5,10-13,16H2,1-3H3