6-methyl-4-methylsulfonyl-N-[2-(phenylmethyl)butyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 6-methyl-4-methylsulfonyl-N-[2-(phenylmethyl)butyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-(2-benzylbutyl)-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-methyl-4-methylsulfonyl-N-[2-(phenylmethyl)butyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-(2-benzylbutyl)-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-(2-benzylbutyl)-4-mesyl-6-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)CNC(=O)C2CN(C3=C(O2)C=CC(=C3)C)S(=O)(=O)C

Isomeric SMILES

CCC(CC1=CC=CC=C1)CNC(=O)C2CN(C3=C(O2)C=CC(=C3)C)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O4S/c1-4-17(13-18-8-6-5-7-9-18)14-23-22(25)21-15-24(29(3,26)27)19-12-16(2)10-11-20(19)28-21/h5-12,17,21H,4,13-15H2,1-3H3,(H,23,25)