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

Systemtic Name: 4-[[4-(4-methoxyphenyl)phenyl]sulfonyl-(phenylmethyl)amino]-1-morpholin-4-ylcarbonyl-piperidine-4-carboxylic acid Openeye Name: 4-[benzyl-[4-(4-methoxyphenyl)phenyl]sulfonyl-amino]-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid CAS Name: 4-[[4-(4-methoxyphenyl)phenyl]sulfonyl-(phenylmethyl)amino]-1-[4-morpholinyl(oxo)methyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[benzyl-[4-(4-methoxyphenyl)phenyl]sulfonylamino]-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid Traditional Name: 4-[benzyl-[4-(4-methoxyphenyl)phenyl]sulfonyl-amino]-1-(morpholine-4-carbonyl)isonipecotic acid Formula: C31H35N3O7S MolecularWeight: 593.6905

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4(CCN(CC4)C(=O)N5CCOCC5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4(CCN(CC4)C(=O)N5CCOCC5)C(=O)O

InChI

InChI=1S/C31H35N3O7S/c1-40-27-11-7-25(8-12-27)26-9-13-28(14-10-26)42(38,39)34(23-24-5-3-2-4-6-24)31(29(35)36)15-17-32(18-16-31)30(37)33-19-21-41-22-20-33/h2-14H,15-23H2,1H3,(H,35,36)