methyl 3-methyl-4-[(4-methylsulfonylphenyl)sulfonylamino]benzoate

Systemtic Name: methyl 3-methyl-4-[(4-methylsulfonylphenyl)sulfonylamino]benzoate Openeye Name: methyl 3-methyl-4-[(4-methylsulfonylphenyl)sulfonylamino]benzoate CAS Name: 3-methyl-4-[(4-methylsulfonylphenyl)sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 3-methyl-4-[(4-methylsulfonylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(4-mesylphenyl)sulfonylamino]-3-methyl-benzoic acid methyl ester Formula: C16H17NO6S2 MolecularWeight: 383.43928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C16H17NO6S2/c1-11-10-12(16(18)23-2)4-9-15(11)17-25(21,22)14-7-5-13(6-8-14)24(3,19)20/h4-10,17H,1-3H3