2-nitro-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]-4-(trifluoromethylsulfonyl)aniline

Systemtic Name: 2-nitro-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]-4-(trifluoromethylsulfonyl)aniline Openeye Name: 2-nitro-N-[(2-pyrrolidin-1-yl-4-pyridyl)methyl]-4-(trifluoromethylsulfonyl)aniline CAS Name: 2-nitro-N-[[2-(1-pyrrolidinyl)-4-pyridinyl]methyl]-4-(trifluoromethylsulfonyl)aniline IUPAC Name: 2-nitro-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]-4-(trifluoromethylsulfonyl)aniline Traditional Name: (2-nitro-4-triflyl-phenyl)-[(2-pyrrolidino-4-pyridyl)methyl]amine Formula: C17H17F3N4O4S MolecularWeight: 430.40149

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=CC(=C2)CNC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=NC=CC(=C2)CNC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H17F3N4O4S/c18-17(19,20)29(27,28)13-3-4-14(15(10-13)24(25)26)22-11-12-5-6-21-16(9-12)23-7-1-2-8-23/h3-6,9-10,22H,1-2,7-8,11H2