(2-oxidanylidene-2-phenylazanyl-ethyl) 4-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 4-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate Openeye Name: (2-anilino-2-oxo-ethyl) 4-[(5-bromo-2-thienyl)sulfonylamino]benzoate CAS Name: 4-[(5-bromo-2-thiophenyl)sulfonylamino]benzoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate Traditional Name: 4-[(5-bromo-2-thienyl)sulfonylamino]benzoic acid (2-anilino-2-keto-ethyl) ester Formula: C19H15BrN2O5S2 MolecularWeight: 495.3668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C19H15BrN2O5S2/c20-16-10-11-18(28-16)29(25,26)22-15-8-6-13(7-9-15)19(24)27-12-17(23)21-14-4-2-1-3-5-14/h1-11,22H,12H2,(H,21,23)