(5-ethanoyl-2-ethoxy-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C25H31NO7S MolecularWeight: 489.58114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H31NO7S/c1-4-32-22-11-9-19(18(2)27)15-21(22)17-33-25(28)20-10-12-23(31-3)24(16-20)34(29,30)26-13-7-5-6-8-14-26/h9-12,15-16H,4-8,13-14,17H2,1-3H3