2-azanyl-3-methyl-2-[4-[2-(pyridin-4-ylmethoxy)phenyl]piperazin-1-yl]sulfonyl-butanoic acid

Systemtic Name: 2-azanyl-3-methyl-2-[4-[2-(pyridin-4-ylmethoxy)phenyl]piperazin-1-yl]sulfonyl-butanoic acid Openeye Name: 2-amino-3-methyl-2-[4-[2-(4-pyridylmethoxy)phenyl]piperazin-1-yl]sulfonyl-butanoic acid CAS Name: 2-amino-3-methyl-2-[[4-[2-(pyridin-4-ylmethoxy)phenyl]-1-piperazinyl]sulfonyl]butanoic acid IUPAC Name: 2-amino-3-methyl-2-[4-[2-(pyridin-4-ylmethoxy)phenyl]piperazin-1-yl]sulfonylbutanoic acid Traditional Name: 2-amino-3-methyl-2-[4-[2-(4-pyridylmethoxy)phenyl]piperazino]sulfonyl-butyric acid Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)(N)S(=O)(=O)N1CCN(CC1)C2=CC=CC=C2OCC3=CC=NC=C3

Isomeric SMILES

CC(C)C(C(=O)O)(N)S(=O)(=O)N1CCN(CC1)C2=CC=CC=C2OCC3=CC=NC=C3

InChI

InChI=1S/C21H28N4O5S/c1-16(2)21(22,20(26)27)31(28,29)25-13-11-24(12-14-25)18-5-3-4-6-19(18)30-15-17-7-9-23-10-8-17/h3-10,16H,11-15,22H2,1-2H3,(H,26,27)