3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(6-fluoro-1,3-benzothiazol-2-yl)propionamide Formula: C19H18FN3O5S2 MolecularWeight: 451.491723

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NC3=NC4=C(S3)C=C(C=C4)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NC3=NC4=C(S3)C=C(C=C4)F)OC1

InChI

InChI=1S/C19H18FN3O5S2/c20-12-2-4-14-17(10-12)29-19(22-14)23-18(24)6-7-21-30(25,26)13-3-5-15-16(11-13)28-9-1-8-27-15/h2-5,10-11,21H,1,6-9H2,(H,22,23,24)