N-(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-N'-(phenylsulfonyl)benzenecarboximidamide

Systemtic Name: N-(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-N'-(phenylsulfonyl)benzenecarboximidamide Openeye Name: N'-(benzenesulfonyl)-N-(3,5-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)benzamidine CAS Name: N'-(benzenesulfonyl)-N-(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)benzenecarboximidamide IUPAC Name: N'-(benzenesulfonyl)-N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenecarboximidamide Traditional Name: N'-besyl-N-(4-keto-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)benzamidine Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C=C(C1=O)C

Isomeric SMILES

CC1=CC(=N/C(=N/S(=O)(=O)C2=CC=CC=C2)/C3=CC=CC=C3)C=C(C1=O)C

InChI

InChI=1S/C21H18N2O3S/c1-15-13-18(14-16(2)20(15)24)22-21(17-9-5-3-6-10-17)23-27(25,26)19-11-7-4-8-12-19/h3-14H,1-2H3/b23-21+