1-[1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidin-4-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidin-4-yl]piperidine-3-carboxylic acid Openeye Name: 1-[1-[[5-(dimethylamino)-1-naphthyl]sulfonyl]-4-piperidyl]piperidine-3-carboxylic acid CAS Name: 1-[1-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-4-piperidinyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidin-4-yl]piperidine-3-carboxylic acid Traditional Name: 1-(1-naphthionyl-4-piperidyl)nipecotic acid Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCC(CC3)N4CCCC(C4)C(=O)O

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCC(CC3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C23H31N3O4S/c1-24(2)21-9-3-8-20-19(21)7-4-10-22(20)31(29,30)26-14-11-18(12-15-26)25-13-5-6-17(16-25)23(27)28/h3-4,7-10,17-18H,5-6,11-16H2,1-2H3,(H,27,28)