[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate CAS Name: 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate Traditional Name: 2-(mesitylsulfonylamino)benzoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)NC3CC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)NC3CC3)C

InChI

InChI=1S/C21H24N2O5S/c1-13-10-14(2)20(15(3)11-13)29(26,27)23-18-7-5-4-6-17(18)21(25)28-12-19(24)22-16-8-9-16/h4-7,10-11,16,23H,8-9,12H2,1-3H3,(H,22,24)