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

Systemtic Name: [(Z)-[1-cyano-2-(hexylamino)-2-oxidanylidene-ethylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(Z)-[1-cyano-2-(hexylamino)-2-oxo-ethylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-[1-cyano-2-(hexylamino)-2-oxoethylidene]amino] ester IUPAC Name: [(Z)-[1-cyano-2-(hexylamino)-2-oxoethylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-[1-cyano-2-(hexylamino)-2-keto-ethylidene]amino] ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C(=NOS(=O)(=O)C1=CC=C(C=C1)C)C#N

Isomeric SMILES

CCCCCCNC(=O)/C(=N\OS(=O)(=O)C1=CC=C(C=C1)C)/C#N

InChI

InChI=1S/C16H21N3O4S/c1-3-4-5-6-11-18-16(20)15(12-17)19-23-24(21,22)14-9-7-13(2)8-10-14/h7-10H,3-6,11H2,1-2H3,(H,18,20)/b19-15-