N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(2-morpholino-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(2-morpholino-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3)N=C(S4)N5CCOCC5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3)N=C(S4)N5CCOCC5)OC1

InChI

InChI=1S/C20H21N3O5S2/c24-30(25,15-3-5-17-18(13-15)28-9-1-8-27-17)22-14-2-4-16-19(12-14)29-20(21-16)23-6-10-26-11-7-23/h2-5,12-13,22H,1,6-11H2