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

Systemtic Name: 6-chloranyl-N-[3-methoxy-4-(methylsulfonylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[4-(methanesulfonamido)-3-methoxy-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[4-(methanesulfonamido)-3-methoxy-phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C18H19ClN2O6S MolecularWeight: 426.87126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3)NS(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3)NS(=O)(=O)C

InChI

InChI=1S/C18H19ClN2O6S/c1-25-15-10-12(4-5-14(15)21-28(2,23)24)20-18(22)11-8-13(19)17-16(9-11)26-6-3-7-27-17/h4-5,8-10,21H,3,6-7H2,1-2H3,(H,20,22)