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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide Formula: C24H21N3O5S2 MolecularWeight: 495.57064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)NCC4=NC5=CC=CC=C5S4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)NCC4=NC5=CC=CC=C5S4)OC1

InChI

InChI=1S/C24H21N3O5S2/c28-24(25-15-23-26-19-4-1-2-5-22(19)33-23)16-6-8-17(9-7-16)27-34(29,30)18-10-11-20-21(14-18)32-13-3-12-31-20/h1-2,4-11,14,27H,3,12-13,15H2,(H,25,28)