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

Systemtic Name: 2-[[2-ethynyl-4-(4-methylphenyl)phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid Openeye Name: 2-[[2-ethynyl-4-(p-tolyl)phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid CAS Name: 2-[[2-ethynyl-4-(4-methylphenyl)phenyl]sulfonylamino]-5-phenyl-4-pentynoic acid IUPAC Name: 2-[[2-ethynyl-4-(4-methylphenyl)phenyl]sulfonylamino]-5-phenylpent-4-ynoic acid Traditional Name: 2-[[2-ethynyl-4-(p-tolyl)phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid Formula: C26H21NO4S MolecularWeight: 443.51424

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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)O)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)O)C#C

InChI

InChI=1S/C26H21NO4S/c1-3-21-18-23(22-14-12-19(2)13-15-22)16-17-25(21)32(30,31)27-24(26(28)29)11-7-10-20-8-5-4-6-9-20/h1,4-6,8-9,12-18,24,27H,11H2,2H3,(H,28,29)