N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(6-chloranyl-4H-1,3-benzodioxin-8-yl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(6-chloranyl-4H-1,3-benzodioxin-8-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(6-chloro-4H-1,3-benzodioxin-8-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(6-chloro-4H-1,3-benzodioxin-8-yl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(6-chloro-4H-1,3-benzodioxin-8-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(6-chloro-4H-1,3-benzodioxin-8-yl)acetamide Formula: C23H27ClN2O6S MolecularWeight: 494.98828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C23H27ClN2O6S/c1-30-21-7-6-19(33(28,29)26-8-4-2-3-5-9-26)13-20(21)25-22(27)12-16-10-18(24)11-17-14-31-15-32-23(16)17/h6-7,10-11,13H,2-5,8-9,12,14-15H2,1H3,(H,25,27)