3-(4-methylphenyl)sulfonylpropyl 2-(methylsulfonylcarbamoylamino)benzoate

Systemtic Name: 3-(4-methylphenyl)sulfonylpropyl 2-(methylsulfonylcarbamoylamino)benzoate Openeye Name: 3-(p-tolylsulfonyl)propyl 2-(methylsulfonylcarbamoylamino)benzoate CAS Name: 2-[[methanesulfonamido(oxo)methyl]amino]benzoic acid 3-(4-methylphenyl)sulfonylpropyl ester IUPAC Name: 3-(4-methylphenyl)sulfonylpropyl 2-(methylsulfonylcarbamoylamino)benzoate Traditional Name: 2-(mesylcarbamoylamino)benzoic acid 3-tosylpropyl ester Formula: C19H22N2O7S2 MolecularWeight: 454.51718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCOC(=O)C2=CC=CC=C2NC(=O)NS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCOC(=O)C2=CC=CC=C2NC(=O)NS(=O)(=O)C

InChI

InChI=1S/C19H22N2O7S2/c1-14-8-10-15(11-9-14)30(26,27)13-5-12-28-18(22)16-6-3-4-7-17(16)20-19(23)21-29(2,24)25/h3-4,6-11H,5,12-13H2,1-2H3,(H2,20,21,23)