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

Systemtic Name: 5-methylsulfonyl-N-[(3-propan-2-yloxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-[(3-isopropoxyphenyl)methyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 5-methylsulfonyl-N-[(3-propan-2-yloxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 5-methylsulfonyl-N-[(3-propan-2-yloxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: N-(3-isopropoxybenzyl)-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-15(2)27-17-8-6-7-16(13-17)14-22-21(24)20-11-12-23(29(3,25)26)18-9-4-5-10-19(18)28-20/h4-10,13,15,20H,11-12,14H2,1-3H3,(H,22,24)