1-(5-chloranylnaphthalen-1-yl)sulfonylpyrrolidine-2-carboxylic acid; 2-phenylbenzamide

Systemtic Name: 1-(5-chloranylnaphthalen-1-yl)sulfonylpyrrolidine-2-carboxylic acid; 2-phenylbenzamide Openeye Name: 1-[(5-chloro-1-naphthyl)sulfonyl]pyrrolidine-2-carboxylic acid; 2-phenylbenzamide CAS Name: 1-[(5-chloro-1-naphthalenyl)sulfonyl]-2-pyrrolidinecarboxylic acid; 2-phenylbenzamide IUPAC Name: 1-(5-chloronaphthalen-1-yl)sulfonylpyrrolidine-2-carboxylic acid; 2-phenylbenzamide Traditional Name: 1-[(5-chloro-1-naphthyl)sulfonyl]proline; 2-phenylbenzamide Formula: C28H25ClN2O5S MolecularWeight: 537.0265

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3Cl)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=CC=C3Cl)C(=O)O.C1=CC=C(C=C1)C2=CC=CC=C2C(=O)N

InChI

InChI=1S/C15H14ClNO4S.C13H11NO/c16-12-6-1-5-11-10(12)4-2-8-14(11)22(20,21)17-9-3-7-13(17)15(18)19;14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-2,4-6,8,13H,3,7,9H2,(H,18,19);1-9H,(H2,14,15)