1-[4-(2,2-diphenylethylamino)-3-morpholin-4-ylcarbonyl-phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-(2,2-diphenylethylamino)-3-morpholin-4-ylcarbonyl-phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-(2,2-diphenylethylamino)-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[4-(2,2-diphenylethylamino)-3-[4-morpholinyl(oxo)methyl]phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(2,2-diphenylethylamino)-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[4-(2,2-diphenylethylamino)-3-(morpholine-4-carbonyl)phenyl]sulfonylisonipecotic acid Formula: C31H35N3O6S MolecularWeight: 577.6911

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)NCC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N5CCOCC5

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)NCC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N5CCOCC5

InChI

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