3-nitro-N6-[(1-phenethylsulfonylpiperidin-4-yl)methyl]pyridine-2,6-diamine

Systemtic Name: 3-nitro-N6-[(1-phenethylsulfonylpiperidin-4-yl)methyl]pyridine-2,6-diamine Openeye Name: 3-nitro-N6-[(1-phenethylsulfonyl-4-piperidyl)methyl]pyridine-2,6-diamine CAS Name: 3-nitro-N6-[(1-phenethylsulfonyl-4-piperidinyl)methyl]pyridine-2,6-diamine IUPAC Name: 3-nitro-6-N-[(1-phenethylsulfonylpiperidin-4-yl)methyl]pyridine-2,6-diamine Traditional Name: (6-amino-5-nitro-2-pyridyl)-[(1-phenethylsulfonyl-4-piperidyl)methyl]amine Formula: C19H25N5O4S MolecularWeight: 419.4979

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=NC(=C(C=C2)[N+](=O)[O-])N)S(=O)(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1CNC2=NC(=C(C=C2)[N+](=O)[O-])N)S(=O)(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C19H25N5O4S/c20-19-17(24(25)26)6-7-18(22-19)21-14-16-8-11-23(12-9-16)29(27,28)13-10-15-4-2-1-3-5-15/h1-7,16H,8-14H2,(H3,20,21,22)