3-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanoylamino]methyl]-N-methyl-benzamide

Systemtic Name: 3-[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanoylamino]methyl]-N-methyl-benzamide Openeye Name: 3-[[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]methyl]-N-methyl-benzamide CAS Name: 3-[[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-1-oxoethyl]amino]methyl]-N-methylbenzamide IUPAC Name: 3-[[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]methyl]-N-methylbenzamide Traditional Name: 3-[[[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]amino]methyl]-N-methyl-benzamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)CNC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)CNC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H25N3O6S/c1-22-21(26)16-6-3-5-15(11-16)13-23-20(25)14-24(2)31(27,28)17-7-8-18-19(12-17)30-10-4-9-29-18/h3,5-8,11-12H,4,9-10,13-14H2,1-2H3,(H,22,26)(H,23,25)