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

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate CAS Name: 2-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate Traditional Name: 2-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)C)C

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)C)C

InChI

InChI=1S/C22H27N3O6S/c1-4-5-12-23-22(28)24-20(26)14-31-21(27)17-8-6-7-9-18(17)25-32(29,30)19-13-15(2)10-11-16(19)3/h6-11,13,25H,4-5,12,14H2,1-3H3,(H2,23,24,26,28)