3-[3-[2-(dimethylsulfamoylamino)ethyl]-5-(pyridin-4-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[3-[2-(dimethylsulfamoylamino)ethyl]-5-(pyridin-4-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[3-[2-(dimethylsulfamoylamino)ethyl]-5-(4-pyridylmethyl)phenyl]propanoic acid CAS Name: 3-[3-[2-(dimethylsulfamoylamino)ethyl]-5-(pyridin-4-ylmethyl)phenyl]propanoic acid IUPAC Name: 3-[3-[2-(dimethylsulfamoylamino)ethyl]-5-(pyridin-4-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[3-[2-(dimethylsulfamoylamino)ethyl]-5-(4-pyridylmethyl)phenyl]propionic acid Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)NCCC1=CC(=CC(=C1)CCC(=O)O)CC2=CC=NC=C2

Isomeric SMILES

CN(C)S(=O)(=O)NCCC1=CC(=CC(=C1)CCC(=O)O)CC2=CC=NC=C2

InChI

InChI=1S/C19H25N3O4S/c1-22(2)27(25,26)21-10-7-17-12-16(3-4-19(23)24)13-18(14-17)11-15-5-8-20-9-6-15/h5-6,8-9,12-14,21H,3-4,7,10-11H2,1-2H3,(H,23,24)