azocan-1-yl-[4-[3,4-bis(fluoranyl)phenyl]sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate

Systemtic Name: azocan-1-yl-[4-[3,4-bis(fluoranyl)phenyl]sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate Openeye Name: azocan-1-yl-[4-(3,4-difluorophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate CAS Name: 1-azocanyl-[4-(3,4-difluorophenyl)sulfonylimino-1-cyclohexa-2,5-dienylidene]methanolate IUPAC Name: azocan-1-yl-[4-(3,4-difluorophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate Traditional Name: azocan-1-yl-[4-(3,4-difluorophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate Formula: C20H21F2N2O3S- MolecularWeight: 407.454146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=C2C=CC(=NS(=O)(=O)C3=CC(=C(C=C3)F)F)C=C2)[O-]

Isomeric SMILES

C1CCCN(CCC1)C(=C2C=CC(=NS(=O)(=O)C3=CC(=C(C=C3)F)F)C=C2)[O-]

InChI

InChI=1S/C20H22F2N2O3S/c21-18-11-10-17(14-19(18)22)28(26,27)23-16-8-6-15(7-9-16)20(25)24-12-4-2-1-3-5-13-24/h6-11,14,25H,1-5,12-13H2/p-1