2-[4-[4-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]phenyl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[4-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]phenyl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[4-[(3-chloro-4-fluoro-phenyl)sulfonylamino]benzoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[4-[(3-chloro-4-fluoro-phenyl)sulfonylamino]benzoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C22H25ClFN4O4S+ MolecularWeight: 495.974703

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H24ClFN4O4S/c23-19-13-18(7-8-20(19)24)33(31,32)26-17-3-1-15(2-4-17)22(30)28-11-9-27(10-12-28)14-21(29)25-16-5-6-16/h1-4,7-8,13,16,26H,5-6,9-12,14H2,(H,25,29)/p+1