methyl 2-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C23H28N2O7S MolecularWeight: 476.54262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C23H28N2O7S/c1-30-20-14-18(23(27)32-3)19(15-21(20)31-2)24-22(26)16-9-8-10-17(13-16)33(28,29)25-11-6-4-5-7-12-25/h8-10,13-15H,4-7,11-12H2,1-3H3,(H,24,26)