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

Systemtic Name: N,N-diethyl-4-[[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Formula: C20H29N7O4S MolecularWeight: 463.55376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)S(=O)(=O)N(CC)CC)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)S(=O)(=O)N(CC)CC)[N+](=O)[O-]

InChI

InChI=1S/C20H29N7O4S/c1-4-24-11-13-25(14-12-24)20-18(27(28)29)19(21-15-22-20)23-16-7-9-17(10-8-16)32(30,31)26(5-2)6-3/h7-10,15H,4-6,11-14H2,1-3H3,(H,21,22,23)