N-benzo[e][1,3]benzothiazol-2-yl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H16N2O4S2 MolecularWeight: 412.48204

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54)OC1

InChI

InChI=1S/C20H16N2O4S2/c23-28(24,14-7-8-16-17(12-14)26-11-3-10-25-16)22-20-21-19-15-5-2-1-4-13(15)6-9-18(19)27-20/h1-2,4-9,12H,3,10-11H2,(H,21,22)