(5-ethanoyl-2-methoxy-phenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H27NO6S/c1-17(25)19-9-12-22(29-2)20(15-19)16-30-23(26)18-7-10-21(11-8-18)31(27,28)24-13-5-3-4-6-14-24/h7-12,15H,3-6,13-14,16H2,1-2H3