(4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 4-acetamidobenzenesulfonate

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 4-acetamidobenzenesulfonate Openeye Name: (4-chloro-2-isopropyl-5-methyl-phenyl) 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenyl) 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid (4-chloro-2-isopropyl-5-methyl-phenyl) ester Formula: C18H20ClNO4S MolecularWeight: 381.8737

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C18H20ClNO4S/c1-11(2)16-10-17(19)12(3)9-18(16)24-25(22,23)15-7-5-14(6-8-15)20-13(4)21/h5-11H,1-4H3,(H,20,21)