4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)-3-nitro-2-propyl-benzenesulfonamide

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)-3-nitro-2-propyl-benzenesulfonamide Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)-3-nitro-2-propyl-benzenesulfonamide CAS Name: 4-[4-(4-fluorophenyl)-1-piperazinyl]-N-(2-methoxyphenyl)-3-nitro-2-propylbenzenesulfonamide IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)-3-nitro-2-propylbenzenesulfonamide Traditional Name: 4-[4-(4-fluorophenyl)piperazino]-N-(2-methoxyphenyl)-3-nitro-2-propyl-benzenesulfonamide Formula: C26H29FN4O5S MolecularWeight: 528.595663

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=C(C=C3)F)S(=O)(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CCCC1=C(C=CC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=C(C=C3)F)S(=O)(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C26H29FN4O5S/c1-3-6-21-25(37(34,35)28-22-7-4-5-8-24(22)36-2)14-13-23(26(21)31(32)33)30-17-15-29(16-18-30)20-11-9-19(27)10-12-20/h4-5,7-14,28H,3,6,15-18H2,1-2H3