(4-methoxycarbonylphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (4-methoxycarbonylphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (4-methoxycarbonylphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (4-carbomethoxybenzyl) ester Formula: C22H25NO6S MolecularWeight: 431.502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6S/c1-28-21(24)18-11-9-17(10-12-18)16-29-22(25)19-7-6-8-20(15-19)30(26,27)23-13-4-2-3-5-14-23/h6-12,15H,2-5,13-14,16H2,1H3