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

Systemtic Name: methyl 2-[4-(azepan-1-ylsulfonyl)-2-methyl-phenoxy]ethanoate Openeye Name: methyl 2-[4-(azepan-1-ylsulfonyl)-2-methyl-phenoxy]acetate CAS Name: 2-[4-(1-azepanylsulfonyl)-2-methylphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-(azepan-1-ylsulfonyl)-2-methylphenoxy]acetate Traditional Name: 2-[4-(azepan-1-ylsulfonyl)-2-methyl-phenoxy]acetic acid methyl ester Formula: C16H23NO5S MolecularWeight: 341.42252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OCC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OCC(=O)OC

InChI

InChI=1S/C16H23NO5S/c1-13-11-14(7-8-15(13)22-12-16(18)21-2)23(19,20)17-9-5-3-4-6-10-17/h7-8,11H,3-6,9-10,12H2,1-2H3