N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2-(p-tolylsulfonylamino)pentanamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2-(tosylamino)valeramide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

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