N-[(6-methoxynaphthalen-2-yl)methyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[(6-methoxynaphthalen-2-yl)methyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(6-methoxy-2-naphthyl)methyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(6-methoxy-2-naphthalenyl)methyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(6-methoxynaphthalen-2-yl)methyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(6-methoxy-2-naphthyl)methyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)CNS(=O)(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)CNS(=O)(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

InChI

InChI=1S/C21H20N2O7S/c1-28-17-6-5-15-9-14(3-4-16(15)10-17)13-22-31(26,27)21-12-20-19(11-18(21)23(24)25)29-7-2-8-30-20/h3-6,9-12,22H,2,7-8,13H2,1H3