[(Z)-[1-cyano-2-(cyclohexylamino)-2-oxidanylidene-ethylidene]amino] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-[1-cyano-2-(cyclohexylamino)-2-oxidanylidene-ethylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(Z)-[1-cyano-2-(cyclohexylamino)-2-oxo-ethylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-[1-cyano-2-(cyclohexylamino)-2-oxoethylidene]amino] ester IUPAC Name: [(Z)-[1-cyano-2-(cyclohexylamino)-2-oxoethylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-[1-cyano-2-(cyclohexylamino)-2-keto-ethylidene]amino] ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C(C#N)C(=O)NC2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C(/C#N)\C(=O)NC2CCCCC2

InChI

InChI=1S/C16H19N3O4S/c1-12-7-9-14(10-8-12)24(21,22)23-19-15(11-17)16(20)18-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H,18,20)/b19-15-