ethyl 3-[3-[2-(dimethylsulfamoylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate

Systemtic Name: ethyl 3-[3-[2-(dimethylsulfamoylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate Openeye Name: ethyl 3-[3-[2-(dimethylsulfamoylamino)ethyl]-5-(3-pyridylmethyl)phenyl]propanoate CAS Name: 3-[3-[2-(dimethylsulfamoylamino)ethyl]-5-(3-pyridinylmethyl)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[2-(dimethylsulfamoylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate Traditional Name: 3-[3-[2-(dimethylsulfamoylamino)ethyl]-5-(3-pyridylmethyl)phenyl]propionic acid ethyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=CC(=C1)CC2=CN=CC=C2)CCNS(=O)(=O)N(C)C

Isomeric SMILES

CCOC(=O)CCC1=CC(=CC(=C1)CC2=CN=CC=C2)CCNS(=O)(=O)N(C)C

InChI

InChI=1S/C21H29N3O4S/c1-4-28-21(25)8-7-17-12-18(9-11-23-29(26,27)24(2)3)14-20(13-17)15-19-6-5-10-22-16-19/h5-6,10,12-14,16,23H,4,7-9,11,15H2,1-3H3