N,N-diethyl-4-[[6-[(3-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[6-[(3-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[6-(3-methylanilino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[6-(3-methylanilino)-5-nitro-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[6-(3-methylanilino)-5-nitropyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[6-(m-toluidino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Formula: C21H24N6O4S MolecularWeight: 456.51806

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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)NC3=CC=CC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C)[N+](=O)[O-]

InChI

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