N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[(4-isopropoxy-3-methoxy-phenyl)methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-(4-isopropoxy-3-methoxy-benzyl)-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)CNC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)CNC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C)OC

InChI

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