6-methoxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]hex-4-ynoic acid

Systemtic Name: 6-methoxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]hex-4-ynoic acid Openeye Name: 6-methoxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]hex-4-ynoic acid CAS Name: 6-methoxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methylamino]-4-hexynoic acid IUPAC Name: 6-methoxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methylamino]hex-4-ynoic acid Traditional Name: 6-methoxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]hex-4-ynoic acid Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC#CCOC)C(=O)O)S(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC

Isomeric SMILES

CN(C(CC#CCOC)C(=O)O)S(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H23NO6S/c1-22(20(21(23)24)6-4-5-15-27-2)29(25,26)19-13-9-17(10-14-19)16-7-11-18(28-3)12-8-16/h7-14,20H,6,15H2,1-3H3,(H,23,24)