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

Systemtic Name: N,N-diethyl-4-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[(5-nitro-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[(5-nitro-6-pyrrolidino-pyrimidin-4-yl)amino]benzenesulfonamide Formula: C18H24N6O4S MolecularWeight: 420.48596

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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-])N3CCCC3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C18H24N6O4S/c1-3-23(4-2)29(27,28)15-9-7-14(8-10-15)21-17-16(24(25)26)18(20-13-19-17)22-11-5-6-12-22/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,20,21)