ethyl 4-[[2-[(5-bromanylthiophen-2-yl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-[(5-bromanylthiophen-2-yl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoate Openeye Name: ethyl 4-[[2-[(5-bromo-2-thienyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoate CAS Name: 4-[[2-[(5-bromo-2-thiophenyl)sulfonylamino]-1-oxo-3-phenylpropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(5-bromothiophen-2-yl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[2-[(5-bromo-2-thienyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoic acid ethyl ester Formula: C22H21BrN2O5S2 MolecularWeight: 537.44654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C22H21BrN2O5S2/c1-2-30-22(27)16-8-10-17(11-9-16)24-21(26)18(14-15-6-4-3-5-7-15)25-32(28,29)20-13-12-19(23)31-20/h3-13,18,25H,2,14H2,1H3,(H,24,26)