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

Systemtic Name: 5-phenyl-2-(quinolin-2-ylsulfonylmethyl)pentanoic acid Openeye Name: 5-phenyl-2-(2-quinolylsulfonylmethyl)pentanoic acid CAS Name: 5-phenyl-2-(2-quinolinylsulfonylmethyl)pentanoic acid IUPAC Name: 5-phenyl-2-(quinolin-2-ylsulfonylmethyl)pentanoic acid Traditional Name: 5-phenyl-2-(2-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=NC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(CS(=O)(=O)C2=NC3=CC=CC=C3C=C2)C(=O)O

InChI

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