methyl (2R)-2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]-5-phenyl-pent-4-ynoate

Systemtic Name: methyl (2R)-2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]-5-phenyl-pent-4-ynoate Openeye Name: methyl (2R)-2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]-5-phenyl-pent-4-ynoate CAS Name: (2R)-2-[[4-[4-(methylthio)phenyl]phenyl]sulfonylamino]-5-phenyl-4-pentynoic acid methyl ester IUPAC Name: methyl (2R)-2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]-5-phenylpent-4-ynoate Traditional Name: (2R)-2-[[4-[4-(methylthio)phenyl]phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid methyl ester Formula: C25H23NO4S2 MolecularWeight: 465.58442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)SC

Isomeric SMILES

COC(=O)[C@@H](CC#CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)SC

InChI

InChI=1S/C25H23NO4S2/c1-30-25(27)24(10-6-9-19-7-4-3-5-8-19)26-32(28,29)23-17-13-21(14-18-23)20-11-15-22(31-2)16-12-20/h3-5,7-8,11-18,24,26H,10H2,1-2H3/t24-/m1/s1