[6-(4-fluorophenyl)sulfonyliminocyclohexa-2,4-dien-1-ylidene]-(4-phenethylpiperazin-4-ium-1-yl)methanolate

Systemtic Name: [6-(4-fluorophenyl)sulfonyliminocyclohexa-2,4-dien-1-ylidene]-(4-phenethylpiperazin-4-ium-1-yl)methanolate Openeye Name: [6-(4-fluorophenyl)sulfonyliminocyclohexa-2,4-dien-1-ylidene]-(4-phenethylpiperazin-4-ium-1-yl)methanolate CAS Name: [6-(4-fluorophenyl)sulfonylimino-1-cyclohexa-2,4-dienylidene]-(4-phenethyl-1-piperazin-4-iumyl)methanolate IUPAC Name: [6-(4-fluorophenyl)sulfonyliminocyclohexa-2,4-dien-1-ylidene]-(4-phenethylpiperazin-4-ium-1-yl)methanolate Traditional Name: [6-(4-fluorophenyl)sulfonyliminocyclohexa-2,4-dien-1-ylidene]-(4-phenethylpiperazin-4-ium-1-yl)methanolate Formula: C25H26FN3O3S MolecularWeight: 467.555643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=C3C=CC=CC3=NS(=O)(=O)C4=CC=C(C=C4)F)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=C3C=CC=CC3=NS(=O)(=O)C4=CC=C(C=C4)F)[O-]

InChI

InChI=1S/C25H26FN3O3S/c26-21-10-12-22(13-11-21)33(31,32)27-24-9-5-4-8-23(24)25(30)29-18-16-28(17-19-29)15-14-20-6-2-1-3-7-20/h1-13,30H,14-19H2