2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-yl-pent-4-ynoic acid

Systemtic Name: 2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-yl-pent-4-ynoic acid Openeye Name: 2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]-5-(3-pyridyl)pent-4-ynoic acid CAS Name: 2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]-5-(3-pyridinyl)-4-pentynoic acid IUPAC Name: 2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-ylpent-4-ynoic acid Traditional Name: 2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]-5-(3-pyridyl)pent-4-ynoic acid Formula: C28H22N2O5S MolecularWeight: 498.54968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)NC(CC#CC4=CN=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)NC(CC#CC4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C28H22N2O5S/c31-28(32)27(10-4-6-21-7-5-19-29-20-21)30-36(33,34)26-17-13-23(14-18-26)22-11-15-25(16-12-22)35-24-8-2-1-3-9-24/h1-3,5,7-9,11-20,27,30H,10H2,(H,31,32)