ethyl 3-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]carbonylamino]benzoate Openeye Name: ethyl 3-[[5-(azepan-1-ylsulfonyl)-2-chloro-benzoyl]amino]benzoate CAS Name: 3-[[[5-(1-azepanylsulfonyl)-2-chlorophenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-(azepan-1-ylsulfonyl)-2-chlorobenzoyl]amino]benzoate Traditional Name: 3-[[5-(azepan-1-ylsulfonyl)-2-chloro-benzoyl]amino]benzoic acid ethyl ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C22H25ClN2O5S/c1-2-30-22(27)16-8-7-9-17(14-16)24-21(26)19-15-18(10-11-20(19)23)31(28,29)25-12-5-3-4-6-13-25/h7-11,14-15H,2-6,12-13H2,1H3,(H,24,26)