N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-[(4-isopropoxy-3-methoxy-phenyl)methyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: N-(4-isopropoxy-3-methoxy-benzyl)-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)CNC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)CNC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C)OC

InChI

InChI=1S/C22H28N2O6S/c1-15(2)29-19-10-9-16(13-21(19)28-3)14-23-22(25)20-11-12-24(31(4,26)27)17-7-5-6-8-18(17)30-20/h5-10,13,15,20H,11-12,14H2,1-4H3,(H,23,25)