(2-chloranyl-4-cyano-phenyl) 4-acetamidobenzenesulfonate

Systemtic Name: (2-chloranyl-4-cyano-phenyl) 4-acetamidobenzenesulfonate Openeye Name: (2-chloro-4-cyano-phenyl) 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid (2-chloro-4-cyanophenyl) ester IUPAC Name: (2-chloro-4-cyanophenyl) 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid (2-chloro-4-cyano-phenyl) ester Formula: C15H11ClN2O4S MolecularWeight: 350.77684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C#N)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C#N)Cl

InChI

InChI=1S/C15H11ClN2O4S/c1-10(19)18-12-3-5-13(6-4-12)23(20,21)22-15-7-2-11(9-17)8-14(15)16/h2-8H,1H3,(H,18,19)