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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN=C(N)NS(=O)(=O)CC2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1CCCN=C(N)NS(=O)(=O)CC2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H28FN5O2S/c22-19-7-9-20(10-8-19)27-15-13-26(14-16-27)12-4-11-24-21(23)25-30(28,29)17-18-5-2-1-3-6-18/h1-3,5-10H,4,11-17H2,(H3,23,24,25)