2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(pyridin-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(2-pyridylmethyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)phenoxy]-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(2-pyridylmethyl)acetamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CC=N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C20H25N3O4S/c24-20(22-15-17-7-3-4-12-21-17)16-27-18-8-10-19(11-9-18)28(25,26)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-16H2,(H,22,24)