3-heptadecyl-N-(4-methylsulfonyliminocyclohexa-2,5-dien-1-ylidene)icosanamide

Systemtic Name: 3-heptadecyl-N-(4-methylsulfonyliminocyclohexa-2,5-dien-1-ylidene)icosanamide Openeye Name: 3-heptadecyl-N-(4-methylsulfonyliminocyclohexa-2,5-dien-1-ylidene)icosanamide CAS Name: 3-heptadecyl-N-(4-methylsulfonylimino-1-cyclohexa-2,5-dienylidene)eicosanamide IUPAC Name: 3-heptadecyl-N-(4-methylsulfonyliminocyclohexa-2,5-dien-1-ylidene)icosanamide Traditional Name: 3-heptadecyl-N-(4-mesyliminocyclohexa-2,5-dien-1-ylidene)arachidamide Formula: C44H80N2O3S MolecularWeight: 717.1826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)CC(=O)N=C1C=CC(=NS(=O)(=O)C)C=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)CC(=O)N=C1C=CC(=NS(=O)(=O)C)C=C1

InChI

InChI=1S/C44H80N2O3S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(40-44(47)45-42-36-38-43(39-37-42)46-50(3,48)49)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h36-39,41H,4-35,40H2,1-3H3