(4-acetamidophenyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: (4-acetamidophenyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (4-acetamidophenyl) 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (4-acetamidophenyl) ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

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