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

Systemtic Name: N,N-diethyl-4-[[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[5-nitro-6-[2-(1-piperidyl)ethylamino]pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[5-nitro-6-[2-(1-piperidinyl)ethylamino]-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]amino]benzenesulfonamide Formula: C21H31N7O4S MolecularWeight: 477.58034

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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)NCCN3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCN3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H31N7O4S/c1-3-27(4-2)33(31,32)18-10-8-17(9-11-18)25-21-19(28(29)30)20(23-16-24-21)22-12-15-26-13-6-5-7-14-26/h8-11,16H,3-7,12-15H2,1-2H3,(H2,22,23,24,25)