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

Systemtic Name: 5-methylsulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 5-methylsulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 5-methylsulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 5-methylsulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 5-mesyl-N-(2,3,4-trimethoxybenzyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O7S/c1-27-17-10-9-14(19(28-2)20(17)29-3)13-22-21(24)18-11-12-23(31(4,25)26)15-7-5-6-8-16(15)30-18/h5-10,18H,11-13H2,1-4H3,(H,22,24)