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

Systemtic Name: 7-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 7-chloro-N-homoveratryl-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C21H25ClN2O6S MolecularWeight: 468.951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O6S/c1-28-18-6-4-14(12-20(18)29-2)8-10-23-21(25)19-9-11-24(31(3,26)27)16-13-15(22)5-7-17(16)30-19/h4-7,12-13,19H,8-11H2,1-3H3,(H,23,25)