5-phenyl-2-(quinolin-8-ylsulfonylmethyl)pentanoic acid

Systemtic Name: 5-phenyl-2-(quinolin-8-ylsulfonylmethyl)pentanoic acid Openeye Name: 5-phenyl-2-(8-quinolylsulfonylmethyl)pentanoic acid CAS Name: 5-phenyl-2-(8-quinolinylsulfonylmethyl)pentanoic acid IUPAC Name: 5-phenyl-2-(quinolin-8-ylsulfonylmethyl)pentanoic acid Traditional Name: 5-phenyl-2-(8-quinolylsulfonylmethyl)valeric acid Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(CS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(CS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)O

InChI

InChI=1S/C21H21NO4S/c23-21(24)18(11-4-9-16-7-2-1-3-8-16)15-27(25,26)19-13-5-10-17-12-6-14-22-20(17)19/h1-3,5-8,10,12-14,18H,4,9,11,15H2,(H,23,24)