butyl 4-[(4-methylsulfonylphenyl)sulfonylamino]benzoate

Systemtic Name: butyl 4-[(4-methylsulfonylphenyl)sulfonylamino]benzoate Openeye Name: butyl 4-[(4-methylsulfonylphenyl)sulfonylamino]benzoate CAS Name: 4-[(4-methylsulfonylphenyl)sulfonylamino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-methylsulfonylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(4-mesylphenyl)sulfonylamino]benzoic acid butyl ester Formula: C18H21NO6S2 MolecularWeight: 411.49244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C18H21NO6S2/c1-3-4-13-25-18(20)14-5-7-15(8-6-14)19-27(23,24)17-11-9-16(10-12-17)26(2,21)22/h5-12,19H,3-4,13H2,1-2H3