[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate CAS Name: 4-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NC3CC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NC3CC3

InChI

InChI=1S/C20H22N2O5S/c1-13-3-4-14(2)18(11-13)28(25,26)22-17-7-5-15(6-8-17)20(24)27-12-19(23)21-16-9-10-16/h3-8,11,16,22H,9-10,12H2,1-2H3,(H,21,23)