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

Systemtic Name: methyl 4-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]benzoate CAS Name: 4-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]benzoate Traditional Name: 4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]benzoic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-28-21(25)17-6-10-18(11-7-17)22-20(24)16-8-12-19(13-9-16)29(26,27)23-14-4-2-3-5-15-23/h6-13H,2-5,14-15H2,1H3,(H,22,24)