2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-[(4-methylphenyl)methyl]butanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-[(4-methylphenyl)methyl]butanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-(p-tolylmethyl)butanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-[(4-methylphenyl)methyl]butanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-[(4-methylphenyl)methyl]butanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-(4-methylbenzyl)butyramide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H28N2O5S/c1-15(2)21(22(25)23-14-17-7-5-16(3)6-8-17)24-30(26,27)18-9-10-19-20(13-18)29-12-4-11-28-19/h5-10,13,15,21,24H,4,11-12,14H2,1-3H3,(H,23,25)