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

Systemtic Name: N,N-diethyl-4-[[6-[methyl(phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[6-(N-methylanilino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[6-(N-methylanilino)-5-nitro-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[6-(N-methylanilino)-5-nitropyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[6-(N-methylanilino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Formula: C21H24N6O4S MolecularWeight: 456.51806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O4S/c1-4-26(5-2)32(30,31)18-13-11-16(12-14-18)24-20-19(27(28)29)21(23-15-22-20)25(3)17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3,(H,22,23,24)