6-(dimethylamino)-2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid

Systemtic Name: 6-(dimethylamino)-2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid Openeye Name: 6-(dimethylamino)-2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid CAS Name: 6-(dimethylamino)-2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]-4-hexynoic acid IUPAC Name: 6-(dimethylamino)-2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid Traditional Name: 6-(dimethylamino)-2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC#CCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CN(C)CC#CCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C26H26N2O5S/c1-28(2)19-7-6-10-25(26(29)30)27-34(31,32)24-17-13-21(14-18-24)20-11-15-23(16-12-20)33-22-8-4-3-5-9-22/h3-5,8-9,11-18,25,27H,10,19H2,1-2H3,(H,29,30)