N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-6-methyl-pyridine-3-carboxamide

Systemtic Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-6-methyl-pyridine-3-carboxamide Openeye Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-6-methyl-pyridine-3-carboxamide CAS Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-6-methylpyridine-3-carboxamide Traditional Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-6-methyl-nicotinamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5S/c1-15-3-4-16(14-23-15)22(26)24-17-5-7-18(8-6-17)25-31(27,28)19-9-10-20-21(13-19)30-12-2-11-29-20/h3-10,13-14,25H,2,11-12H2,1H3,(H,24,26)