2-[(2-ethylsulfonyl-4-nitro-phenyl)methyl]-1,10-phenanthroline

Systemtic Name: 2-[(2-ethylsulfonyl-4-nitro-phenyl)methyl]-1,10-phenanthroline Openeye Name: 2-[(2-ethylsulfonyl-4-nitro-phenyl)methyl]-1,10-phenanthroline CAS Name: 2-[(2-ethylsulfonyl-4-nitrophenyl)methyl]-1,10-phenanthroline IUPAC Name: 2-[(2-ethylsulfonyl-4-nitrophenyl)methyl]-1,10-phenanthroline Traditional Name: 2-(2-esyl-4-nitro-benzyl)-1,10-phenanthroline Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])CC2=NC3=C(C=CC4=C3N=CC=C4)C=C2

Isomeric SMILES

CCS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])CC2=NC3=C(C=CC4=C3N=CC=C4)C=C2

InChI

InChI=1S/C21H17N3O4S/c1-2-29(27,28)19-13-18(24(25)26)10-8-16(19)12-17-9-7-15-6-5-14-4-3-11-22-20(14)21(15)23-17/h3-11,13H,2,12H2,1H3