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

Systemtic Name: N-[2-(tert-butylcarbamoyl)phenyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-[2-(tert-butylcarbamoyl)phenyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: N-[2-[(tert-butylamino)-oxomethyl]phenyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: N-[2-(tert-butylcarbamoyl)phenyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: N-[2-(tert-butylcarbamoyl)phenyl]-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C

InChI

InChI=1S/C22H27N3O5S/c1-22(2,3)24-20(26)15-9-5-6-10-16(15)23-21(27)19-13-14-25(31(4,28)29)17-11-7-8-12-18(17)30-19/h5-12,19H,13-14H2,1-4H3,(H,23,27)(H,24,26)