N-(3-fluorophenyl)-2-[4-[4-(phenylsulfonylamino)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-[4-(phenylsulfonylamino)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[4-(benzenesulfonamido)benzoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[[4-(benzenesulfonamido)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-[4-(benzenesulfonamido)benzoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-[4-(benzenesulfonamido)benzoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C25H26FN4O4S+ MolecularWeight: 497.561743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H25FN4O4S/c26-20-5-4-6-22(17-20)27-24(31)18-29-13-15-30(16-14-29)25(32)19-9-11-21(12-10-19)28-35(33,34)23-7-2-1-3-8-23/h1-12,17,28H,13-16,18H2,(H,27,31)/p+1