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

Systemtic Name: 6-chloranyl-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]pyridine-3-carboxamide Openeye Name: 6-chloro-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]pyridine-3-carboxamide CAS Name: 6-chloro-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-3-pyridinecarboxamide IUPAC Name: 6-chloro-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]pyridine-3-carboxamide Traditional Name: 6-chloro-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]nicotinamide Formula: C21H18ClN3O5S MolecularWeight: 459.90272

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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=CN=C(C=C4)Cl)OC1

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O5S/c22-20-9-2-14(13-23-20)21(26)24-15-3-5-16(6-4-15)25-31(27,28)17-7-8-18-19(12-17)30-11-1-10-29-18/h2-9,12-13,25H,1,10-11H2,(H,24,26)