(2S,4R)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid; piperidine

Systemtic Name: (2S,4R)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid; piperidine Openeye Name: (2S,4R)-1-[[5-(dimethylamino)-1-naphthyl]sulfonyl]-4-hydroxy-pyrrolidine-2-carboxylic acid; piperidine CAS Name: (2S,4R)-1-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-4-hydroxy-2-pyrrolidinecarboxylic acid; piperidine IUPAC Name: (2S,4R)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid; piperidine Traditional Name: (2S,4R)-4-hydroxy-1-naphthionyl-proline; piperidine Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CC(CC3C(=O)O)O.C1CCNCC1

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3C[C@@H](C[C@H]3C(=O)O)O.C1CCNCC1

InChI

InChI=1S/C17H20N2O5S.C5H11N/c1-18(2)14-7-3-6-13-12(14)5-4-8-16(13)25(23,24)19-10-11(20)9-15(19)17(21)22;1-2-4-6-5-3-1/h3-8,11,15,20H,9-10H2,1-2H3,(H,21,22);6H,1-5H2/t11-,15+;/m1./s1