2-(4-methylphenoxy)-N-[3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propyl]propanamide

Systemtic Name: 2-(4-methylphenoxy)-N-[3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propyl]propanamide Openeye Name: 2-(4-methylphenoxy)-N-[3-[methylsulfonyl(3-pyridylmethyl)amino]propyl]propanamide CAS Name: 2-(4-methylphenoxy)-N-[3-[methylsulfonyl(3-pyridinylmethyl)amino]propyl]propanamide IUPAC Name: 2-(4-methylphenoxy)-N-[3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propyl]propanamide Traditional Name: N-[3-[mesyl(3-pyridylmethyl)amino]propyl]-2-(4-methylphenoxy)propionamide Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C)C(=O)NCCCN(CC2=CN=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)OC(C)C(=O)NCCCN(CC2=CN=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C20H27N3O4S/c1-16-7-9-19(10-8-16)27-17(2)20(24)22-12-5-13-23(28(3,25)26)15-18-6-4-11-21-14-18/h4,6-11,14,17H,5,12-13,15H2,1-3H3,(H,22,24)