methyl 2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylamino]-5-phenyl-pent-4-ynoate

Systemtic Name: methyl 2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylamino]-5-phenyl-pent-4-ynoate Openeye Name: methyl 5-phenyl-2-[[4-[2-(p-tolyl)ethynyl]phenyl]sulfonylamino]pent-4-ynoate CAS Name: 2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylamino]-5-phenyl-4-pentynoic acid methyl ester IUPAC Name: methyl 2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylamino]-5-phenylpent-4-ynoate Traditional Name: 5-phenyl-2-[[4-[2-(p-tolyl)ethynyl]phenyl]sulfonylamino]pent-4-ynoic acid methyl ester Formula: C27H23NO4S MolecularWeight: 457.54082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)S(=O)(=O)NC(CC#CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)S(=O)(=O)NC(CC#CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C27H23NO4S/c1-21-11-13-23(14-12-21)15-16-24-17-19-25(20-18-24)33(30,31)28-26(27(29)32-2)10-6-9-22-7-4-3-5-8-22/h3-5,7-8,11-14,17-20,26,28H,10H2,1-2H3