[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-fluoro-3-morpholinosulfonyl-phenyl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[4-fluoro-3-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-fluoro-3-morpholinosulfonyl-phenyl)methanone Formula: C28H31FN3O4S+ MolecularWeight: 524.626843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)F)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)F)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C28H30FN3O4S/c29-25-12-11-24(21-26(25)37(34,35)32-17-19-36-20-18-32)28(33)31-15-13-30(14-16-31)27(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-12,21,27H,13-20H2/p+1