4-[[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Openeye Name: N,N-diethyl-4-[(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)amino]benzenesulfonamide CAS Name: 4-[[6-(2,3-dihydroindol-1-yl)-5-nitro-4-pyrimidinyl]amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: N,N-diethyl-4-[(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)amino]benzenesulfonamide Formula: C22H24N6O4S MolecularWeight: 468.52876

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C43

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C43

InChI

InChI=1S/C22H24N6O4S/c1-3-26(4-2)33(31,32)18-11-9-17(10-12-18)25-21-20(28(29)30)22(24-15-23-21)27-14-13-16-7-5-6-8-19(16)27/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,24,25)