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

Systemtic Name: N,N-diethyl-4-[[6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[6-(3-methyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[6-(3-methyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Formula: C20H28N6O4S MolecularWeight: 448.53912

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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-])N3CCCC(C3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC(C3)C

InChI

InChI=1S/C20H28N6O4S/c1-4-25(5-2)31(29,30)17-10-8-16(9-11-17)23-19-18(26(27)28)20(22-14-21-19)24-12-6-7-15(3)13-24/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,21,22,23)