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

Systemtic Name: 5-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 5-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 5-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 5-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 5-mesyl-N-[1-(4-mesylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C20H24N2O6S2 MolecularWeight: 452.54436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O6S2/c1-14(15-8-10-16(11-9-15)29(2,24)25)21-20(23)19-12-13-22(30(3,26)27)17-6-4-5-7-18(17)28-19/h4-11,14,19H,12-13H2,1-3H3,(H,21,23)