[2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-oxo-2-(2-oxo-1-pyrrolidinyl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-keto-2-(2-ketopyrrolidino)ethyl] ester Formula: C19H23ClN2O6S MolecularWeight: 442.91372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCCC3=O)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCCC3=O)Cl

InChI

InChI=1S/C19H23ClN2O6S/c20-15-8-7-14(19(25)28-13-18(24)22-11-5-6-17(22)23)12-16(15)29(26,27)21-9-3-1-2-4-10-21/h7-8,12H,1-6,9-11,13H2