2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(5-chloranyl-2-methoxy-phenyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(5-chloranyl-2-methoxy-phenyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(5-chloro-2-methoxy-phenyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(5-chloro-2-methoxy-phenyl)acetamide Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H25ClN2O5S/c1-28-20-11-6-16(22)14-19(20)23-21(25)15-29-17-7-9-18(10-8-17)30(26,27)24-12-4-2-3-5-13-24/h6-11,14H,2-5,12-13,15H2,1H3,(H,23,25)