2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid

Systemtic Name: 2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid Openeye Name: 2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid CAS Name: 2-[[4-[4-(methylthio)phenyl]phenyl]sulfonylamino]-5-phenyl-4-pentynoic acid IUPAC Name: 2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]-5-phenylpent-4-ynoic acid Traditional Name: 2-[[4-[4-(methylthio)phenyl]phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid Formula: C24H21NO4S2 MolecularWeight: 451.55784

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC#CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC#CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H21NO4S2/c1-30-21-14-10-19(11-15-21)20-12-16-22(17-13-20)31(28,29)25-23(24(26)27)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-17,23,25H,9H2,1H3,(H,26,27)