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

Systemtic Name: 6-(dimethylamino)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid Openeye Name: 6-(dimethylamino)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid CAS Name: 6-(dimethylamino)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-4-hexynoic acid IUPAC Name: 6-(dimethylamino)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid Traditional Name: 6-(dimethylamino)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-23(2)15-5-4-6-20(21(24)25)22-29(26,27)19-13-9-17(10-14-19)16-7-11-18(28-3)12-8-16/h7-14,20,22H,6,15H2,1-3H3,(H,24,25)