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

Systemtic Name: 1-isoquinolin-5-ylsulfonylpyrrolidine-2-carboxylic acid; 2-phenylbenzamide Openeye Name: 1-(5-isoquinolylsulfonyl)pyrrolidine-2-carboxylic acid; 2-phenylbenzamide CAS Name: 1-(5-isoquinolinylsulfonyl)-2-pyrrolidinecarboxylic acid; 2-phenylbenzamide IUPAC Name: 1-isoquinolin-5-ylsulfonylpyrrolidine-2-carboxylic acid; 2-phenylbenzamide Traditional Name: 1-(5-isoquinolylsulfonyl)proline; 2-phenylbenzamide Formula: C27H25N3O5S MolecularWeight: 503.5695

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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.C1=CC=C(C=C1)C2=CC=CC=C2C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O4S.C13H11NO/c17-14(18)12-4-2-8-16(12)21(19,20)13-5-1-3-10-9-15-7-6-11(10)13;14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1,3,5-7,9,12H,2,4,8H2,(H,17,18);1-9H,(H2,14,15)