1-(4-butoxyphenyl)sulfonyl-3-morpholin-4-ylcarbonyl-piperidine-2-carboxylic acid

Systemtic Name: 1-(4-butoxyphenyl)sulfonyl-3-morpholin-4-ylcarbonyl-piperidine-2-carboxylic acid Openeye Name: 1-(4-butoxyphenyl)sulfonyl-3-(morpholine-4-carbonyl)piperidine-2-carboxylic acid CAS Name: 1-(4-butoxyphenyl)sulfonyl-3-[4-morpholinyl(oxo)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-(4-butoxyphenyl)sulfonyl-3-(morpholine-4-carbonyl)piperidine-2-carboxylic acid Traditional Name: 1-(4-butoxyphenyl)sulfonyl-3-(morpholine-4-carbonyl)pipecolinic acid Formula: C21H30N2O7S MolecularWeight: 454.5371

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2C(=O)O)C(=O)N3CCOCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2C(=O)O)C(=O)N3CCOCC3

InChI

InChI=1S/C21H30N2O7S/c1-2-3-13-30-16-6-8-17(9-7-16)31(27,28)23-10-4-5-18(19(23)21(25)26)20(24)22-11-14-29-15-12-22/h6-9,18-19H,2-5,10-15H2,1H3,(H,25,26)