2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-guanidine

Systemtic Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-guanidine Openeye Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-guanidine CAS Name: 2-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-1-(2-methyl-5-nitrophenyl)sulfonylguanidine IUPAC Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(2-methyl-5-nitrophenyl)sulfonylguanidine Traditional Name: 2-[3-[4-(4-fluorophenyl)piperazino]propyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-guanidine Formula: C21H27FN6O4S MolecularWeight: 478.540283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN6O4S/c1-16-3-6-19(28(29)30)15-20(16)33(31,32)25-21(23)24-9-2-10-26-11-13-27(14-12-26)18-7-4-17(22)5-8-18/h3-8,15H,2,9-14H2,1H3,(H3,23,24,25)