N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[3-[4-(2-fluorophenyl)-1-piperazinyl]propyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[3-[4-(2-fluorophenyl)piperazino]propyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C20H25FN4O4S MolecularWeight: 436.500303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCCN2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCCN2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C20H25FN4O4S/c1-16-7-8-17(25(26)27)15-20(16)30(28,29)22-9-4-10-23-11-13-24(14-12-23)19-6-3-2-5-18(19)21/h2-3,5-8,15,22H,4,9-14H2,1H3