4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzoate

Systemtic Name: 4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzoate Openeye Name: 4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzoate CAS Name: 4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzoate IUPAC Name: 4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzoate Formula: C18H20NO4S- MolecularWeight: 346.4207

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)[O-])C)C

InChI

InChI=1S/C18H21NO4S/c1-11-9-12(2)14(4)17(13(11)3)24(22,23)19-10-15-5-7-16(8-6-15)18(20)21/h5-9,19H,10H2,1-4H3,(H,20,21)/p-1