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

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C23H26ClNO6S MolecularWeight: 479.97364

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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)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClNO6S/c1-16(26)17-8-10-21(30-2)19(13-17)15-31-23(27)18-7-9-20(24)22(14-18)32(28,29)25-11-5-3-4-6-12-25/h7-10,13-14H,3-6,11-12,15H2,1-2H3