2-[[4-(4-bromophenyl)phenyl]sulfonyl-methyl-amino]-2-(1-morpholin-4-ylcarbonylpiperidin-4-yl)ethanoic acid

Systemtic Name: 2-[[4-(4-bromophenyl)phenyl]sulfonyl-methyl-amino]-2-(1-morpholin-4-ylcarbonylpiperidin-4-yl)ethanoic acid Openeye Name: 2-[[4-(4-bromophenyl)phenyl]sulfonyl-methyl-amino]-2-[1-(morpholine-4-carbonyl)-4-piperidyl]acetic acid CAS Name: 2-[[4-(4-bromophenyl)phenyl]sulfonyl-methylamino]-2-[1-[4-morpholinyl(oxo)methyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[[4-(4-bromophenyl)phenyl]sulfonyl-methylamino]-2-[1-(morpholine-4-carbonyl)piperidin-4-yl]acetic acid Traditional Name: 2-[[4-(4-bromophenyl)phenyl]sulfonyl-methyl-amino]-2-[1-(morpholine-4-carbonyl)-4-piperidyl]acetic acid Formula: C25H30BrN3O6S MolecularWeight: 580.4912

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(C1CCN(CC1)C(=O)N2CCOCC2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CN(C(C1CCN(CC1)C(=O)N2CCOCC2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H30BrN3O6S/c1-27(36(33,34)22-8-4-19(5-9-22)18-2-6-21(26)7-3-18)23(24(30)31)20-10-12-28(13-11-20)25(32)29-14-16-35-17-15-29/h2-9,20,23H,10-17H2,1H3,(H,30,31)