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

Systemtic Name: ethyl 3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]benzoate Openeye Name: ethyl 3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]benzoate CAS Name: 3-[[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]amino]benzoate Traditional Name: 3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]benzoic acid ethyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6S/c1-3-31-23(27)17-9-8-10-18(15-17)24-22(26)20-16-19(11-12-21(20)30-2)32(28,29)25-13-6-4-5-7-14-25/h8-12,15-16H,3-7,13-14H2,1-2H3,(H,24,26)