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

Systemtic Name: 4-methyl-3,5-dinitro-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide Openeye Name: 4-methyl-3,5-dinitro-N-[2-[6-(1-piperidyl)pyrimidin-4-yl]oxyethyl]benzenesulfonamide CAS Name: 4-methyl-3,5-dinitro-N-[2-[[6-(1-piperidinyl)-4-pyrimidinyl]oxy]ethyl]benzenesulfonamide IUPAC Name: 4-methyl-3,5-dinitro-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide Traditional Name: 4-methyl-3,5-dinitro-N-[2-(6-piperidinopyrimidin-4-yl)oxyethyl]benzenesulfonamide Formula: C18H22N6O7S MolecularWeight: 466.46828

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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)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O7S/c1-13-15(23(25)26)9-14(10-16(13)24(27)28)32(29,30)21-5-8-31-18-11-17(19-12-20-18)22-6-3-2-4-7-22/h9-12,21H,2-8H2,1H3