N,N-diethyl-4-[[6-(2-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[6-(2-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[6-(2-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[6-(2-methoxyphenoxy)-5-nitro-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[6-(2-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Formula: C21H23N5O6S MolecularWeight: 473.50222

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC=CC=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O6S/c1-4-25(5-2)33(29,30)16-12-10-15(11-13-16)24-20-19(26(27)28)21(23-14-22-20)32-18-9-7-6-8-17(18)31-3/h6-14H,4-5H2,1-3H3,(H,22,23,24)