4-methyl-2-[[4-[2-(5-methylthiophen-2-yl)ethynyl]phenyl]sulfonylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[[4-[2-(5-methylthiophen-2-yl)ethynyl]phenyl]sulfonylamino]pentanoic acid Openeye Name: 4-methyl-2-[[4-[2-(5-methyl-2-thienyl)ethynyl]phenyl]sulfonylamino]pentanoic acid CAS Name: 4-methyl-2-[[4-[2-(5-methyl-2-thiophenyl)ethynyl]phenyl]sulfonylamino]pentanoic acid IUPAC Name: 4-methyl-2-[[4-[2-(5-methylthiophen-2-yl)ethynyl]phenyl]sulfonylamino]pentanoic acid Traditional Name: 4-methyl-2-[[4-[2-(5-methyl-2-thienyl)ethynyl]phenyl]sulfonylamino]valeric acid Formula: C19H21NO4S2 MolecularWeight: 391.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C#CC2=CC=C(C=C2)S(=O)(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C#CC2=CC=C(C=C2)S(=O)(=O)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C19H21NO4S2/c1-13(2)12-18(19(21)22)20-26(23,24)17-10-6-15(7-11-17)5-9-16-8-4-14(3)25-16/h4,6-8,10-11,13,18,20H,12H2,1-3H3,(H,21,22)