6-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 6-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 6-chloro-N-homoveratryl-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H23ClN2O6S MolecularWeight: 454.92442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C)OC

InChI

InChI=1S/C20H23ClN2O6S/c1-27-17-6-4-13(10-18(17)28-2)8-9-22-20(24)19-12-23(30(3,25)26)15-11-14(21)5-7-16(15)29-19/h4-7,10-11,19H,8-9,12H2,1-3H3,(H,22,24)