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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(C)NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)OCC(C)NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C

InChI

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