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

Systemtic Name: ethyl 3-[3-[2-(dimethylsulfamoylamino)ethyl]-5-(pyridin-4-ylmethyl)phenyl]propanoate Openeye Name: ethyl 3-[3-[2-(dimethylsulfamoylamino)ethyl]-5-(4-pyridylmethyl)phenyl]propanoate CAS Name: 3-[3-[2-(dimethylsulfamoylamino)ethyl]-5-(pyridin-4-ylmethyl)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[2-(dimethylsulfamoylamino)ethyl]-5-(pyridin-4-ylmethyl)phenyl]propanoate Traditional Name: 3-[3-[2-(dimethylsulfamoylamino)ethyl]-5-(4-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=CC=NC=C2)CCNS(=O)(=O)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-4-28-21(25)6-5-18-14-19(9-12-23-29(26,27)24(2)3)16-20(15-18)13-17-7-10-22-11-8-17/h7-8,10-11,14-16,23H,4-6,9,12-13H2,1-3H3