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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: N-homoveratryl-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C)OC

InChI

InChI=1S/C21H26N2O6S/c1-27-18-9-8-15(14-20(18)28-2)10-12-22-21(24)19-11-13-23(30(3,25)26)16-6-4-5-7-17(16)29-19/h4-9,14,19H,10-13H2,1-3H3,(H,22,24)