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

Systemtic Name: [(Z)-[1-cyano-2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(Z)-[1-cyano-2-oxo-2-[[(1S)-1-phenylethyl]amino]ethylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-[1-cyano-2-oxo-2-[[(1S)-1-phenylethyl]amino]ethylidene]amino] ester IUPAC Name: [(Z)-[1-cyano-2-oxo-2-[[(1S)-1-phenylethyl]amino]ethylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-[1-cyano-2-keto-2-[[(1S)-1-phenylethyl]amino]ethylidene]amino] ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C(C#N)C(=O)NC(C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C(/C#N)\C(=O)N[C@@H](C)C2=CC=CC=C2

InChI

InChI=1S/C18H17N3O4S/c1-13-8-10-16(11-9-13)26(23,24)25-21-17(12-19)18(22)20-14(2)15-6-4-3-5-7-15/h3-11,14H,1-2H3,(H,20,22)/b21-17-/t14-/m0/s1