(5-fluoranyl-2-methyl-phenyl)sulfonyl-[3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]azanide

Systemtic Name: (5-fluoranyl-2-methyl-phenyl)sulfonyl-[3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]azanide Openeye Name: [3-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-(5-fluoro-2-methyl-phenyl)sulfonyl-azanide CAS Name: (5-fluoro-2-methylphenyl)sulfonyl-[3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]azanide IUPAC Name: [3-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-(5-fluoro-2-methylphenyl)sulfonylazanide Traditional Name: [3-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-(5-fluoro-2-methyl-phenyl)sulfonyl-azanide Formula: C25H26FN3O3S MolecularWeight: 467.555643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)S(=O)(=O)[N-]C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)F)S(=O)(=O)[N-]C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H25FN3O3S/c1-19-10-11-22(26)17-24(19)33(31,32)27-23-9-5-8-21(16-23)25(30)29-14-12-28(13-15-29)18-20-6-3-2-4-7-20/h2-11,16-17H,12-15,18H2,1H3/q-1/p+1