N-[2-(tert-butylcarbamoyl)phenyl]-7-chloranyl-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: N-[2-(tert-butylcarbamoyl)phenyl]-7-chloranyl-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-[2-(tert-butylcarbamoyl)phenyl]-7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: N-[2-[(tert-butylamino)-oxomethyl]phenyl]-7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: N-[2-(tert-butylcarbamoyl)phenyl]-7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: N-[2-(tert-butylcarbamoyl)phenyl]-7-chloro-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C22H26ClN3O5S MolecularWeight: 479.97694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C22H26ClN3O5S/c1-22(2,3)25-20(27)15-7-5-6-8-16(15)24-21(28)19-11-12-26(32(4,29)30)17-13-14(23)9-10-18(17)31-19/h5-10,13,19H,11-12H2,1-4H3,(H,24,28)(H,25,27)