(2-chloranyl-4-methylsulfonylimino-cyclohexa-2,5-dien-1-ylidene)-piperidin-1-yl-methanolate

Systemtic Name: (2-chloranyl-4-methylsulfonylimino-cyclohexa-2,5-dien-1-ylidene)-piperidin-1-yl-methanolate Openeye Name: (2-chloro-4-methylsulfonylimino-cyclohexa-2,5-dien-1-ylidene)-(1-piperidyl)methanolate CAS Name: (2-chloro-4-methylsulfonylimino-1-cyclohexa-2,5-dienylidene)-(1-piperidinyl)methanolate IUPAC Name: (2-chloro-4-methylsulfonyliminocyclohexa-2,5-dien-1-ylidene)-piperidin-1-ylmethanolate Traditional Name: (2-chloro-4-mesylimino-cyclohexa-2,5-dien-1-ylidene)-piperidino-methanolate Formula: C13H16ClN2O3S- MolecularWeight: 315.79574

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N=C1C=CC(=C(N2CCCCC2)[O-])C(=C1)Cl

Isomeric SMILES

CS(=O)(=O)N=C1C=CC(=C(N2CCCCC2)[O-])C(=C1)Cl

InChI

InChI=1S/C13H17ClN2O3S/c1-20(18,19)15-10-5-6-11(12(14)9-10)13(17)16-7-3-2-4-8-16/h5-6,9,17H,2-4,7-8H2,1H3/p-1