(2-aminocarbonylphenyl) 2,3,4,5,6-pentamethylbenzenesulfonate

Systemtic Name: (2-aminocarbonylphenyl) 2,3,4,5,6-pentamethylbenzenesulfonate Openeye Name: (2-carbamoylphenyl) 2,3,4,5,6-pentamethylbenzenesulfonate CAS Name: 2,3,4,5,6-pentamethylbenzenesulfonic acid (2-carbamoylphenyl) ester IUPAC Name: (2-carbamoylphenyl) 2,3,4,5,6-pentamethylbenzenesulfonate Traditional Name: 2,3,4,5,6-pentamethylbenzenesulfonic acid (2-carbamoylphenyl) ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)OC2=CC=CC=C2C(=O)N)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)OC2=CC=CC=C2C(=O)N)C)C

InChI

InChI=1S/C18H21NO4S/c1-10-11(2)13(4)17(14(5)12(10)3)24(21,22)23-16-9-7-6-8-15(16)18(19)20/h6-9H,1-5H3,(H2,19,20)