8-nitro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: 8-nitro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: 8-nitro-N-[(2-phenylthiazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: 8-nitro-N-[(2-phenyl-4-thiazolyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: 8-nitro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: 8-nitro-N-[(2-phenylthiazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H17N3O6S2 MolecularWeight: 447.48478

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)[N+](=O)[O-])S(=O)(=O)NCC3=CSC(=N3)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)[N+](=O)[O-])S(=O)(=O)NCC3=CSC(=N3)C4=CC=CC=C4)OC1

InChI

InChI=1S/C19H17N3O6S2/c23-22(24)15-9-16-17(28-8-4-7-27-16)10-18(15)30(25,26)20-11-14-12-29-19(21-14)13-5-2-1-3-6-13/h1-3,5-6,9-10,12,20H,4,7-8,11H2