3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(6-methoxypyridin-3-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(6-methoxypyridin-3-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(6-methoxy-3-pyridyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(6-methoxy-3-pyridinyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(6-methoxypyridin-3-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(6-methoxy-3-pyridyl)benzamide Formula: C19H22ClN3O4S MolecularWeight: 423.91368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=NC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H22ClN3O4S/c1-27-18-9-7-15(13-21-18)22-19(24)14-6-8-16(20)17(12-14)28(25,26)23-10-4-2-3-5-11-23/h6-9,12-13H,2-5,10-11H2,1H3,(H,22,24)