6-chloranyl-N-(4-cyanophenyl)sulfonyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-(4-cyanophenyl)sulfonyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-(4-cyanophenyl)sulfonyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-(4-cyanophenyl)sulfonyl-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-(4-cyanophenyl)sulfonyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-(4-cyanophenyl)sulfonyl-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C17H13ClN2O5S MolecularWeight: 392.81352

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)C#N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)C#N)Cl)OC1

InChI

InChI=1S/C17H13ClN2O5S/c18-14-8-12(9-15-16(14)25-7-1-6-24-15)17(21)20-26(22,23)13-4-2-11(10-19)3-5-13/h2-5,8-9H,1,6-7H2,(H,20,21)