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

Systemtic Name: methyl 2-[[2-ethynyl-4-(4-methylphenyl)phenyl]sulfonylamino]-5-phenyl-pent-4-ynoate Openeye Name: methyl 2-[[2-ethynyl-4-(p-tolyl)phenyl]sulfonylamino]-5-phenyl-pent-4-ynoate CAS Name: 2-[[2-ethynyl-4-(4-methylphenyl)phenyl]sulfonylamino]-5-phenyl-4-pentynoic acid methyl ester IUPAC Name: methyl 2-[[2-ethynyl-4-(4-methylphenyl)phenyl]sulfonylamino]-5-phenylpent-4-ynoate Traditional Name: 2-[[2-ethynyl-4-(p-tolyl)phenyl]sulfonylamino]-5-phenyl-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)C2=CC(=C(C=C2)S(=O)(=O)NC(CC#CC3=CC=CC=C3)C(=O)OC)C#C

Isomeric SMILES

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

InChI

InChI=1S/C27H23NO4S/c1-4-22-19-24(23-15-13-20(2)14-16-23)17-18-26(22)33(30,31)28-25(27(29)32-3)12-8-11-21-9-6-5-7-10-21/h1,5-7,9-10,13-19,25,28H,12H2,2-3H3