N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-1H-pyrrole-2-carboxamide

Systemtic Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-1H-pyrrole-2-carboxamide Openeye Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-1H-pyrrole-2-carboxamide CAS Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-1H-pyrrole-2-carboxamide IUPAC Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-1H-pyrrole-2-carboxamide Traditional Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-1H-pyrrole-2-carboxamide Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CN4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CN4)OC1

InChI

InChI=1S/C20H19N3O5S/c24-20(17-3-1-10-21-17)22-14-4-6-15(7-5-14)23-29(25,26)16-8-9-18-19(13-16)28-12-2-11-27-18/h1,3-10,13,21,23H,2,11-12H2,(H,22,24)