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

Systemtic Name: methyl 2-[4-(azepan-1-ylsulfonyl)phenoxy]ethanoate Openeye Name: methyl 2-[4-(azepan-1-ylsulfonyl)phenoxy]acetate CAS Name: 2-[4-(1-azepanylsulfonyl)phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-(azepan-1-ylsulfonyl)phenoxy]acetate Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]acetic acid methyl ester Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO5S/c1-20-15(17)12-21-13-6-8-14(9-7-13)22(18,19)16-10-4-2-3-5-11-16/h6-9H,2-5,10-12H2,1H3