N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3-(methylsulfonylamino)benzamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3-(methylsulfonylamino)benzamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3-(methanesulfonamido)benzamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-3-(methanesulfonamido)benzamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-3-(methanesulfonamido)benzamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3-(methanesulfonamido)benzamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC(=CC=C3)NS(=O)(=O)C

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC(=CC=C3)NS(=O)(=O)C

InChI

InChI=1S/C21H26N2O5S/c1-14(2)20(15-8-9-18-19(13-15)28-11-5-10-27-18)22-21(24)16-6-4-7-17(12-16)23-29(3,25)26/h4,6-9,12-14,20,23H,5,10-11H2,1-3H3,(H,22,24)