[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate CAS Name: 4-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C)C

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C)C

InChI

InChI=1S/C22H28N2O5S/c1-5-18(6-2)23-21(25)14-29-22(26)17-9-11-19(12-10-17)24-30(27,28)20-13-15(3)7-8-16(20)4/h7-13,18,24H,5-6,14H2,1-4H3,(H,23,25)