3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(2-ethoxypyridin-3-yl)methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(2-ethoxypyridin-3-yl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2-ethoxy-3-pyridyl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2-ethoxypyridin-3-yl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2-ethoxy-3-pyridyl)methyl]benzamide Formula: C21H26ClN3O4S MolecularWeight: 451.96684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=C(C=CC=N1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26ClN3O4S/c1-2-29-21-17(8-7-11-23-21)15-24-20(26)16-9-10-18(22)19(14-16)30(27,28)25-12-5-3-4-6-13-25/h7-11,14H,2-6,12-13,15H2,1H3,(H,24,26)