methyl 2-[4-(azepan-1-ylsulfonyl)-2-chloranyl-phenoxy]ethanoate

Systemtic Name: methyl 2-[4-(azepan-1-ylsulfonyl)-2-chloranyl-phenoxy]ethanoate Openeye Name: methyl 2-[4-(azepan-1-ylsulfonyl)-2-chloro-phenoxy]acetate CAS Name: 2-[4-(1-azepanylsulfonyl)-2-chlorophenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-(azepan-1-ylsulfonyl)-2-chlorophenoxy]acetate Traditional Name: 2-[4-(azepan-1-ylsulfonyl)-2-chloro-phenoxy]acetic acid methyl ester Formula: C15H20ClNO5S MolecularWeight: 361.841

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)Cl

Isomeric SMILES

COC(=O)COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)Cl

InChI

InChI=1S/C15H20ClNO5S/c1-21-15(18)11-22-14-7-6-12(10-13(14)16)23(19,20)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9,11H2,1H3