3-chloranyl-N-(4-ethylsulfonyl-2-oxidanylidene-butyl)-6H-benzo[b][1,4]benzoxazepine-5-carboxamide

Systemtic Name: 3-chloranyl-N-(4-ethylsulfonyl-2-oxidanylidene-butyl)-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Openeye Name: 3-chloro-N-(4-ethylsulfonyl-2-oxo-butyl)-6H-benzo[b][1,4]benzoxazepine-5-carboxamide CAS Name: 3-chloro-N-(4-ethylsulfonyl-2-oxobutyl)-6H-benzo[b][1,4]benzoxazepine-5-carboxamide IUPAC Name: 3-chloro-N-(4-ethylsulfonyl-2-oxobutyl)-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Traditional Name: 3-chloro-N-(4-esyl-2-keto-butyl)-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Formula: C20H21ClN2O5S MolecularWeight: 436.90914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCC(=O)CNC(=O)N1CC2=CC=CC=C2OC3=C1C=C(C=C3)Cl

Isomeric SMILES

CCS(=O)(=O)CCC(=O)CNC(=O)N1CC2=CC=CC=C2OC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN2O5S/c1-2-29(26,27)10-9-16(24)12-22-20(25)23-13-14-5-3-4-6-18(14)28-19-8-7-15(21)11-17(19)23/h3-8,11H,2,9-10,12-13H2,1H3,(H,22,25)