4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine

Systemtic Name: 4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine Openeye Name: 4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine CAS Name: 4-[1-(2-ethylsulfonylethyl)-2-imidazolyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine IUPAC Name: 4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine Traditional Name: 4-[1-(2-esylethyl)imidazol-2-yl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine Formula: C19H26N4O6S2 MolecularWeight: 470.56294

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCN1C=CN=C1C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCS(=O)(=O)CCN1C=CN=C1C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H26N4O6S2/c1-3-30(26,27)13-12-21-11-8-20-19(21)16-6-9-22(10-7-16)31(28,29)18-14-17(23(24)25)5-4-15(18)2/h4-5,8,11,14,16H,3,6-7,9-10,12-13H2,1-2H3