N-[3-(1,3-benzothiazol-2-yl)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCCC3=NC4=CC=CC=C4S3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCCC3=NC4=CC=CC=C4S3)OC1

InChI

InChI=1S/C19H20N2O4S2/c22-27(23,14-8-9-16-17(13-14)25-12-4-11-24-16)20-10-3-7-19-21-15-5-1-2-6-18(15)26-19/h1-2,5-6,8-9,13,20H,3-4,7,10-12H2