1-[1-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-4-sulfanyl-pyrrolidin-2-yl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[1-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-4-sulfanyl-pyrrolidin-2-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[1-[[5-(dimethylamino)-1-naphthyl]sulfonyl]-4-sulfanyl-pyrrolidine-2-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[1-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-4-mercapto-2-pyrrolidinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-4-sulfanylpyrrolidine-2-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-(4-mercapto-1-naphthionyl-prolyl)isonipecotic acid Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CC(CC3C(=O)N4CCC(CC4)C(=O)O)S

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CC(CC3C(=O)N4CCC(CC4)C(=O)O)S

InChI

InChI=1S/C23H29N3O5S2/c1-24(2)19-7-3-6-18-17(19)5-4-8-21(18)33(30,31)26-14-16(32)13-20(26)22(27)25-11-9-15(10-12-25)23(28)29/h3-8,15-16,20,32H,9-14H2,1-2H3,(H,28,29)