(4-chloranyl-3-ethyl-phenyl) 4-(acetamidomethyl)benzenesulfonate

Systemtic Name: (4-chloranyl-3-ethyl-phenyl) 4-(acetamidomethyl)benzenesulfonate Openeye Name: (4-chloro-3-ethyl-phenyl) 4-(acetamidomethyl)benzenesulfonate CAS Name: 4-(acetamidomethyl)benzenesulfonic acid (4-chloro-3-ethylphenyl) ester IUPAC Name: (4-chloro-3-ethylphenyl) 4-(acetamidomethyl)benzenesulfonate Traditional Name: 4-(acetamidomethyl)benzenesulfonic acid (4-chloro-3-ethyl-phenyl) ester Formula: C17H18ClNO4S MolecularWeight: 367.84712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClNO4S/c1-3-14-10-15(6-9-17(14)18)23-24(21,22)16-7-4-13(5-8-16)11-19-12(2)20/h4-10H,3,11H2,1-2H3,(H,19,20)