methyl 4-[2-[4-(azepan-1-ylsulfonyl)phenyl]carbonyloxyethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(azepan-1-ylsulfonyl)phenyl]carbonyloxyethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(azepan-1-ylsulfonyl)benzoyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[[4-(1-azepanylsulfonyl)phenyl]-oxomethoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(azepan-1-ylsulfonyl)benzoyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[4-(azepan-1-ylsulfonyl)benzoyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C23H26N2O7S MolecularWeight: 474.52674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O7S/c1-31-22(27)17-6-10-19(11-7-17)24-21(26)16-32-23(28)18-8-12-20(13-9-18)33(29,30)25-14-4-2-3-5-15-25/h6-13H,2-5,14-16H2,1H3,(H,24,26)