2-[[4,5-bis(bromanyl)thiophen-2-yl]sulfonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid

Systemtic Name: 2-[[4,5-bis(bromanyl)thiophen-2-yl]sulfonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: 3-(4-benzyloxyphenyl)-2-[(4,5-dibromo-2-thienyl)sulfonylamino]propanoic acid CAS Name: 2-[(4,5-dibromo-2-thiophenyl)sulfonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: 2-[(4,5-dibromothiophen-2-yl)sulfonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: 3-(4-benzoxyphenyl)-2-[(4,5-dibromo-2-thienyl)sulfonylamino]propionic acid Formula: C20H17Br2NO5S2 MolecularWeight: 575.29068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(C(=O)O)NS(=O)(=O)C3=CC(=C(S3)Br)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(C(=O)O)NS(=O)(=O)C3=CC(=C(S3)Br)Br

InChI

InChI=1S/C20H17Br2NO5S2/c21-16-11-18(29-19(16)22)30(26,27)23-17(20(24)25)10-13-6-8-15(9-7-13)28-12-14-4-2-1-3-5-14/h1-9,11,17,23H,10,12H2,(H,24,25)