4-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]-1-morpholin-4-ylcarbonyl-piperidine-4-carboxylic acid

Systemtic Name: 4-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]-1-morpholin-4-ylcarbonyl-piperidine-4-carboxylic acid Openeye Name: 4-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid CAS Name: 4-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methylamino]-1-[4-morpholinyl(oxo)methyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methylamino]-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid Traditional Name: 4-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]-1-(morpholine-4-carbonyl)isonipecotic acid Formula: C25H31N3O7S MolecularWeight: 517.59454

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1(CCN(CC1)C(=O)N2CCOCC2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(C1(CCN(CC1)C(=O)N2CCOCC2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H31N3O7S/c1-26(25(23(29)30)11-13-27(14-12-25)24(31)28-15-17-35-18-16-28)36(32,33)22-9-5-20(6-10-22)19-3-7-21(34-2)8-4-19/h3-10H,11-18H2,1-2H3,(H,29,30)