4-methyl-3,5-dinitro-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide

Systemtic Name: 4-methyl-3,5-dinitro-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide Openeye Name: 4-methyl-3,5-dinitro-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide CAS Name: 4-methyl-3,5-dinitro-N-[2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]oxy]ethyl]benzenesulfonamide IUPAC Name: 4-methyl-3,5-dinitro-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide Traditional Name: 4-methyl-3,5-dinitro-N-[2-(6-pyrrolidinopyrimidin-4-yl)oxyethyl]benzenesulfonamide Formula: C17H20N6O7S MolecularWeight: 452.4417

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O7S/c1-12-14(22(24)25)8-13(9-15(12)23(26)27)31(28,29)20-4-7-30-17-10-16(18-11-19-17)21-5-2-3-6-21/h8-11,20H,2-7H2,1H3