3-(azepan-1-ylsulfonyl)-N-[(2-methoxypyridin-3-yl)methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(2-methoxypyridin-3-yl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[(2-methoxy-3-pyridyl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[(2-methoxypyridin-3-yl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[(2-methoxy-3-pyridyl)methyl]benzamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=N1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=CC=N1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H25N3O4S/c1-27-20-17(9-7-11-21-20)15-22-19(24)16-8-6-10-18(14-16)28(25,26)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13,15H2,1H3,(H,22,24)