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

Systemtic Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-5-methyl-pyrazine-2-carboxamide Openeye Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-5-methyl-pyrazine-2-carboxamide CAS Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-5-methyl-2-pyrazinecarboxamide IUPAC Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-5-methylpyrazine-2-carboxamide Traditional Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-5-methyl-pyrazinamide Formula: C21H20N4O5S MolecularWeight: 440.4723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H20N4O5S/c1-14-12-23-18(13-22-14)21(26)24-15-3-5-16(6-4-15)25-31(27,28)17-7-8-19-20(11-17)30-10-2-9-29-19/h3-8,11-13,25H,2,9-10H2,1H3,(H,24,26)