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

Systemtic Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-2-methyl-benzamide Openeye Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-2-methyl-benzamide CAS Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-2-methylbenzamide IUPAC Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-2-methylbenzamide Traditional Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-2-methyl-benzamide Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H22N2O5S/c1-16-5-2-3-6-20(16)23(26)24-17-7-9-18(10-8-17)25-31(27,28)19-11-12-21-22(15-19)30-14-4-13-29-21/h2-3,5-12,15,25H,4,13-14H2,1H3,(H,24,26)