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

Systemtic Name: 5-methylsulfonyl-N-[2-(phenylmethyl)butyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-(2-benzylbutyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 5-methylsulfonyl-N-[2-(phenylmethyl)butyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: N-(2-benzylbutyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: N-(2-benzylbutyl)-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)CNC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C

Isomeric SMILES

CCC(CC1=CC=CC=C1)CNC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O4S/c1-3-17(15-18-9-5-4-6-10-18)16-23-22(25)21-13-14-24(29(2,26)27)19-11-7-8-12-20(19)28-21/h4-12,17,21H,3,13-16H2,1-2H3,(H,23,25)