(2-methoxyphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (2-methoxyphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2-methoxyphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (2-methoxyphenyl)methyl ester IUPAC Name: (2-methoxyphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid o-anisyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H25NO5S/c1-26-20-12-5-4-9-18(20)16-27-21(23)17-10-8-11-19(15-17)28(24,25)22-13-6-2-3-7-14-22/h4-5,8-12,15H,2-3,6-7,13-14,16H2,1H3