4-(cyanomethylsulfonylmethyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide

Systemtic Name: 4-(cyanomethylsulfonylmethyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Openeye Name: 4-(cyanomethylsulfonylmethyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide CAS Name: 4-(cyanomethylsulfonylmethyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide IUPAC Name: 4-(cyanomethylsulfonylmethyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Traditional Name: 4-(cyanomethylsulfonylmethyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)CS(=O)(=O)CC#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)CS(=O)(=O)CC#N)OC1

InChI

InChI=1S/C19H18N2O5S/c20-8-11-27(23,24)13-14-2-4-15(5-3-14)19(22)21-16-6-7-17-18(12-16)26-10-1-9-25-17/h2-7,12H,1,9-11,13H2,(H,21,22)