1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylic acid; piperidine

Systemtic Name: 1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylic acid; piperidine Openeye Name: 1-[[5-(dimethylamino)-1-naphthyl]sulfonyl]pyrrolidine-2-carboxylic acid; piperidine CAS Name: 1-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-2-pyrrolidinecarboxylic acid; piperidine IUPAC Name: 1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylic acid; piperidine Traditional Name: 1-naphthionylproline; piperidine Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCCC3C(=O)O.C1CCNCC1

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCCC3C(=O)O.C1CCNCC1

InChI

InChI=1S/C17H20N2O4S.C5H11N/c1-18(2)14-8-3-7-13-12(14)6-4-10-16(13)24(22,23)19-11-5-9-15(19)17(20)21;1-2-4-6-5-3-1/h3-4,6-8,10,15H,5,9,11H2,1-2H3,(H,20,21);6H,1-5H2