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

Systemtic Name: 7-chloranyl-5-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 7-chloro-5-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 7-chloro-5-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 7-chloro-5-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 7-chloro-5-mesyl-N-[1-(4-mesylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C20H23ClN2O6S2 MolecularWeight: 486.98942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C20H23ClN2O6S2/c1-13(14-4-7-16(8-5-14)30(2,25)26)22-20(24)19-10-11-23(31(3,27)28)17-12-15(21)6-9-18(17)29-19/h4-9,12-13,19H,10-11H2,1-3H3,(H,22,24)