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

Systemtic Name: 2-methyl-5-nitro-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-[2-[6-(1-piperidyl)pyrimidin-4-yl]oxyethyl]benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[2-[[6-(1-piperidinyl)-4-pyrimidinyl]oxy]ethyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-[2-(6-piperidinopyrimidin-4-yl)oxyethyl]benzenesulfonamide Formula: C18H23N5O5S MolecularWeight: 421.47072

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O5S/c1-14-5-6-15(23(24)25)11-16(14)29(26,27)21-7-10-28-18-12-17(19-13-20-18)22-8-3-2-4-9-22/h5-6,11-13,21H,2-4,7-10H2,1H3