[2,6-bis(oxidanylidene)cyclohexylidene]-[1-(phenylsulfonyl)piperidin-4-yl]methanolate

Systemtic Name: [2,6-bis(oxidanylidene)cyclohexylidene]-[1-(phenylsulfonyl)piperidin-4-yl]methanolate Openeye Name: [1-(benzenesulfonyl)-4-piperidyl]-(2,6-dioxocyclohexylidene)methanolate CAS Name: [1-(benzenesulfonyl)-4-piperidinyl]-(2,6-dioxocyclohexylidene)methanolate IUPAC Name: [1-(benzenesulfonyl)piperidin-4-yl]-(2,6-dioxocyclohexylidene)methanolate Traditional Name: (1-besyl-4-piperidyl)-(2,6-diketocyclohexylidene)methanolate Formula: C18H20NO5S- MolecularWeight: 362.4201

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(=C(C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)[O-])C(=O)C1

Isomeric SMILES

C1CC(=O)C(=C(C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)[O-])C(=O)C1

InChI

InChI=1S/C18H21NO5S/c20-15-7-4-8-16(21)17(15)18(22)13-9-11-19(12-10-13)25(23,24)14-5-2-1-3-6-14/h1-3,5-6,13,22H,4,7-12H2/p-1