2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-phenoxy-hex-4-ynoic acid

Systemtic Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-phenoxy-hex-4-ynoic acid Openeye Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-phenoxy-hex-4-ynoic acid CAS Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-phenoxy-4-hexynoic acid IUPAC Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-phenoxyhex-4-ynoic acid Traditional Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-phenoxy-hex-4-ynoic acid Formula: C24H20BrNO5S MolecularWeight: 514.3883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC#CCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)OCC#CCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C24H20BrNO5S/c25-20-13-9-18(10-14-20)19-11-15-22(16-12-19)32(29,30)26-23(24(27)28)8-4-5-17-31-21-6-2-1-3-7-21/h1-3,6-7,9-16,23,26H,8,17H2,(H,27,28)