N,N-diethyl-4-[(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)amino]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[5-nitro-6-(8-quinolinylthio)-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amino]benzenesulfonamide Formula: C23H22N6O4S2 MolecularWeight: 510.58858

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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=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N6O4S2/c1-3-28(4-2)35(32,33)18-12-10-17(11-13-18)27-22-21(29(30)31)23(26-15-25-22)34-19-9-5-7-16-8-6-14-24-20(16)19/h5-15H,3-4H2,1-2H3,(H,25,26,27)