(4-chloranyl-3-ethyl-phenyl) 4-acetamidobenzenesulfonate

Systemtic Name: (4-chloranyl-3-ethyl-phenyl) 4-acetamidobenzenesulfonate Openeye Name: (4-chloro-3-ethyl-phenyl) 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid (4-chloro-3-ethylphenyl) ester IUPAC Name: (4-chloro-3-ethylphenyl) 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid (4-chloro-3-ethyl-phenyl) ester Formula: C16H16ClNO4S MolecularWeight: 353.82054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)Cl

InChI

InChI=1S/C16H16ClNO4S/c1-3-12-10-14(6-9-16(12)17)22-23(20,21)15-7-4-13(5-8-15)18-11(2)19/h4-10H,3H2,1-2H3,(H,18,19)