7-chloranyl-N-[(4-methoxyphenyl)methyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: 7-chloranyl-N-[(4-methoxyphenyl)methyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 7-chloro-N-[(4-methoxyphenyl)methyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 7-chloro-N-[(4-methoxyphenyl)methyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 7-chloro-N-[(4-methoxyphenyl)methyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 7-chloro-5-mesyl-N-p-anisyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C19H21ClN2O5S MolecularWeight: 424.89844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C19H21ClN2O5S/c1-26-15-6-3-13(4-7-15)12-21-19(23)18-9-10-22(28(2,24)25)16-11-14(20)5-8-17(16)27-18/h3-8,11,18H,9-10,12H2,1-2H3,(H,21,23)