methyl 3-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-4-chloranyl-benzoate Openeye Name: methyl 3-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-4-chloro-benzoate CAS Name: 3-[[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-4-chlorobenzoate Traditional Name: 3-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-4-chloro-benzoic acid methyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O5S/c1-29-21(26)16-9-10-18(22)19(14-16)23-20(25)15-7-6-8-17(13-15)30(27,28)24-11-4-2-3-5-12-24/h6-10,13-14H,2-5,11-12H2,1H3,(H,23,25)