6-chloranyl-N-[3-(methylsulfonylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[3-(methylsulfonylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[3-(methanesulfonamido)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[3-(methanesulfonamido)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[3-(methanesulfonamido)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[3-(methanesulfonamido)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)NC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)NC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C17H17ClN2O5S/c1-26(22,23)20-13-5-2-4-12(10-13)19-17(21)11-8-14(18)16-15(9-11)24-6-3-7-25-16/h2,4-5,8-10,20H,3,6-7H2,1H3,(H,19,21)