3-(4-fluorophenyl)sulfonyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]propanamide

Systemtic Name: 3-(4-fluorophenyl)sulfonyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]propanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-(4-fluorophenyl)sulfonyl-propanamide CAS Name: 3-(4-fluorophenyl)sulfonyl-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]propanamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-(4-fluorophenyl)sulfonyl-propionamide Formula: C26H29FN3O3S+ MolecularWeight: 482.590163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CCS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CCS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H28FN3O3S/c27-22-6-12-25(13-7-22)34(32,33)19-14-26(31)28-23-8-10-24(11-9-23)30-17-15-29(16-18-30)20-21-4-2-1-3-5-21/h1-13H,14-20H2,(H,28,31)/p+1