[(Z)-[2-(3-butoxypropylamino)-1-cyano-2-oxidanylidene-ethylidene]amino] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-[2-(3-butoxypropylamino)-1-cyano-2-oxidanylidene-ethylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(Z)-[2-(3-butoxypropylamino)-1-cyano-2-oxo-ethylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-[2-(3-butoxypropylamino)-1-cyano-2-oxoethylidene]amino] ester IUPAC Name: [(Z)-[2-(3-butoxypropylamino)-1-cyano-2-oxoethylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-[2-(3-butoxypropylamino)-1-cyano-2-keto-ethylidene]amino] ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5S/c1-3-4-11-24-12-5-10-19-17(21)16(13-18)20-25-26(22,23)15-8-6-14(2)7-9-15/h6-9H,3-5,10-12H2,1-2H3,(H,19,21)/b20-16-