1-isoquinolin-5-ylsulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-isoquinolin-5-ylsulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-(5-isoquinolylsulfonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(5-isoquinolinylsulfonyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-isoquinolin-5-ylsulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-(5-isoquinolylsulfonyl)proline Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)C(=O)O

InChI

InChI=1S/C14H14N2O4S/c17-14(18)12-4-2-8-16(12)21(19,20)13-5-1-3-10-9-15-7-6-11(10)13/h1,3,5-7,9,12H,2,4,8H2,(H,17,18)