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

Systemtic Name: 6-methoxy-2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid Openeye Name: 6-methoxy-2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid CAS Name: 6-methoxy-2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]-4-hexynoic acid IUPAC Name: 6-methoxy-2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid Traditional Name: 6-methoxy-2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid Formula: C25H23NO6S MolecularWeight: 465.51822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO6S/c1-31-18-6-5-9-24(25(27)28)26-33(29,30)23-16-12-20(13-17-23)19-10-14-22(15-11-19)32-21-7-3-2-4-8-21/h2-4,7-8,10-17,24,26H,9,18H2,1H3,(H,27,28)