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

Systemtic Name: N,N-diethyl-4-[[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amino]benzenesulfonamide Formula: C21H23N5O4S2 MolecularWeight: 473.56842

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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)SC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4S2/c1-4-25(5-2)32(29,30)18-12-8-16(9-13-18)24-20-19(26(27)28)21(23-14-22-20)31-17-10-6-15(3)7-11-17/h6-14H,4-5H2,1-3H3,(H,22,23,24)