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

Systemtic Name: 1-(5-chloranylnaphthalen-1-yl)sulfonylpyrrolidine-2-carboxylic acid; piperazine-1-carboxamide Openeye Name: 1-[(5-chloro-1-naphthyl)sulfonyl]pyrrolidine-2-carboxylic acid; piperazine-1-carboxamide CAS Name: 1-[(5-chloro-1-naphthalenyl)sulfonyl]-2-pyrrolidinecarboxylic acid; 1-piperazinecarboxamide IUPAC Name: 1-(5-chloronaphthalen-1-yl)sulfonylpyrrolidine-2-carboxylic acid; piperazine-1-carboxamide Traditional Name: 1-[(5-chloro-1-naphthyl)sulfonyl]proline; piperazine-1-carboxamide Formula: C20H25ClN4O5S MolecularWeight: 468.9543

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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.C1CN(CCN1)C(=O)N

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3Cl)C(=O)O.C1CN(CCN1)C(=O)N

InChI

InChI=1S/C15H14ClNO4S.C5H11N3O/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;6-5(9)8-3-1-7-2-4-8/h1-2,4-6,8,13H,3,7,9H2,(H,18,19);7H,1-4H2,(H2,6,9)