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

Systemtic Name: 4-methylsulfonyl-2-nitro-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]aniline Openeye Name: 4-methylsulfonyl-2-nitro-N-[(2-pyrrolidin-1-yl-4-pyridyl)methyl]aniline CAS Name: 4-methylsulfonyl-2-nitro-N-[[2-(1-pyrrolidinyl)-4-pyridinyl]methyl]aniline IUPAC Name: 4-methylsulfonyl-2-nitro-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]aniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[(2-pyrrolidino-4-pyridyl)methyl]amine Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=NC=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=NC=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4S/c1-26(24,25)14-4-5-15(16(11-14)21(22)23)19-12-13-6-7-18-17(10-13)20-8-2-3-9-20/h4-7,10-11,19H,2-3,8-9,12H2,1H3