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

Systemtic Name: 4-[[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[[6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Formula: C24H28ClN7O4S MolecularWeight: 546.04162

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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-])N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H28ClN7O4S/c1-3-31(4-2)37(35,36)21-10-8-19(9-11-21)28-23-22(32(33)34)24(27-17-26-23)30-14-12-29(13-15-30)20-7-5-6-18(25)16-20/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,26,27,28)