N-{4-nitro-2-[(2,3,4,5,6-²H?)phenoxy]phenyl}methanesulfonamide

CAS: 1330180-22-7

Formula: C13H12N2O5S

SMILES: [2H]C1=C([2H])C([2H])=C(OC2=C(NS(C)(=O)=O)C=CC(=C2)[N+]([O-])=O)C([2H])=C1[2H]

IUPAC: N-{4-nitro-2-[(2,3,4,5,6-²H?)phenoxy]phenyl}methanesulfonamide

InChI: InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3/i2D,3D,4D,5D,6D

Composition: C (49.83%), H (2.25%), [2H] (3.21%), N (8.94%), O (25.53%), S (10.23%)

Molar Mass: 313.34

Atom Count: 33

Heavy Atom Count: 21