butyl 4-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfonylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfonylethanoylamino]benzoate Openeye Name: butyl 4-[[2-(2-anilino-2-oxo-ethyl)sulfonylacetyl]amino]benzoate CAS Name: 4-[[2-(2-anilino-2-oxoethyl)sulfonyl-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(2-anilino-2-oxoethyl)sulfonylacetyl]amino]benzoate Traditional Name: 4-[[2-(2-anilino-2-keto-ethyl)sulfonylacetyl]amino]benzoic acid butyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CS(=O)(=O)CC(=O)NC2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CS(=O)(=O)CC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O6S/c1-2-3-13-29-21(26)16-9-11-18(12-10-16)23-20(25)15-30(27,28)14-19(24)22-17-7-5-4-6-8-17/h4-12H,2-3,13-15H2,1H3,(H,22,24)(H,23,25)