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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propionamide Formula: C19H19N3O5S2 MolecularWeight: 433.50126

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NC3=NC4=CC=CC=C4S3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NC3=NC4=CC=CC=C4S3)OC1

InChI

InChI=1S/C19H19N3O5S2/c23-18(22-19-21-14-4-1-2-5-17(14)28-19)8-9-20-29(24,25)13-6-7-15-16(12-13)27-11-3-10-26-15/h1-2,4-7,12,20H,3,8-11H2,(H,21,22,23)