5-methylsulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: 5-methylsulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 5-methylsulfonyl-N-(4-morpholinosulfonylphenyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 5-methylsulfonyl-N-[4-(4-morpholinylsulfonyl)phenyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 5-methylsulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 5-mesyl-N-(4-morpholinosulfonylphenyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C21H25N3O7S2 MolecularWeight: 495.5691

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H25N3O7S2/c1-32(26,27)24-11-10-20(31-19-5-3-2-4-18(19)24)21(25)22-16-6-8-17(9-7-16)33(28,29)23-12-14-30-15-13-23/h2-9,20H,10-15H2,1H3,(H,22,25)