N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-morpholin-4-ylsulfonyl-pyridin-2-amine

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-morpholin-4-ylsulfonyl-pyridin-2-amine Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-morpholinosulfonyl-pyridin-2-amine CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-(4-morpholinylsulfonyl)-2-pyridinamine IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(5-morpholinosulfonyl-2-pyridyl)amine Formula: C19H22ClN3O5S MolecularWeight: 439.91308

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4)Cl)OC1

InChI

InChI=1S/C19H22ClN3O5S/c20-16-10-14(11-17-19(16)28-7-1-6-27-17)12-21-18-3-2-15(13-22-18)29(24,25)23-4-8-26-9-5-23/h2-3,10-11,13H,1,4-9,12H2,(H,21,22)