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

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H18N2O5S2 MolecularWeight: 442.50802

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=C(O3)C4=NC5=CC=CC=C5S4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=C(O3)C4=NC5=CC=CC=C5S4)OC1

InChI

InChI=1S/C21H18N2O5S2/c24-30(25,15-7-9-17-19(12-15)27-11-3-10-26-17)22-13-14-6-8-18(28-14)21-23-16-4-1-2-5-20(16)29-21/h1-2,4-9,12,22H,3,10-11,13H2