2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(4-methylphenyl)sulfonyl-guanidine

Systemtic Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(4-methylphenyl)sulfonyl-guanidine Openeye Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(p-tolylsulfonyl)guanidine CAS Name: 2-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-1-(4-methylphenyl)sulfonylguanidine IUPAC Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(4-methylphenyl)sulfonylguanidine Traditional Name: 2-[3-[4-(4-fluorophenyl)piperazino]propyl]-1-tosyl-guanidine Formula: C21H28FN5O2S MolecularWeight: 433.542723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCCN2CCN(CC2)C3=CC=C(C=C3)F)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCCN2CCN(CC2)C3=CC=C(C=C3)F)N

InChI

InChI=1S/C21H28FN5O2S/c1-17-3-9-20(10-4-17)30(28,29)25-21(23)24-11-2-12-26-13-15-27(16-14-26)19-7-5-18(22)6-8-19/h3-10H,2,11-16H2,1H3,(H3,23,24,25)