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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-homoveratryl-4-mesyl-6-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H26N2O6S/c1-14-5-7-17-16(11-14)23(30(4,25)26)13-20(29-17)21(24)22-10-9-15-6-8-18(27-2)19(12-15)28-3/h5-8,11-12,20H,9-10,13H2,1-4H3,(H,22,24)