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

Systemtic Name: N,N-diethyl-4-[[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[6-(2-ethyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Formula: C21H30N6O4S MolecularWeight: 462.5657

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C(=NC=N2)NC3=CC=C(C=C3)S(=O)(=O)N(CC)CC)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C2=C(C(=NC=N2)NC3=CC=C(C=C3)S(=O)(=O)N(CC)CC)[N+](=O)[O-]

InChI

InChI=1S/C21H30N6O4S/c1-4-17-9-7-8-14-26(17)21-19(27(28)29)20(22-15-23-21)24-16-10-12-18(13-11-16)32(30,31)25(5-2)6-3/h10-13,15,17H,4-9,14H2,1-3H3,(H,22,23,24)