1-[3-(2,2-diphenylethylamino)-4-(4-methanoylmorpholin-3-yl)phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[3-(2,2-diphenylethylamino)-4-(4-methanoylmorpholin-3-yl)phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[3-(2,2-diphenylethylamino)-4-(4-formylmorpholin-3-yl)phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[3-(2,2-diphenylethylamino)-4-(4-formyl-3-morpholinyl)phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(2,2-diphenylethylamino)-4-(4-formylmorpholin-3-yl)phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[3-(2,2-diphenylethylamino)-4-(4-formylmorpholin-3-yl)phenyl]sulfonylisonipecotic acid Formula: C31H35N3O6S MolecularWeight: 577.6911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)C3COCCN3C=O)NCC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)C3COCCN3C=O)NCC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H35N3O6S/c35-22-33-17-18-40-21-30(33)27-12-11-26(41(38,39)34-15-13-25(14-16-34)31(36)37)19-29(27)32-20-28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-12,19,22,25,28,30,32H,13-18,20-21H2,(H,36,37)