[4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] benzenesulfonate

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] benzenesulfonate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C16H12N2O4S MolecularWeight: 328.34248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C16H12N2O4S/c17-11-13(16(18)19)10-12-6-8-14(9-7-12)22-23(20,21)15-4-2-1-3-5-15/h1-10H,(H2,18,19)/b13-10+