1-[(4-nitrophenyl)methylsulfonyl]piperidin-3-amine

Systemtic Name: 1-[(4-nitrophenyl)methylsulfonyl]piperidin-3-amine Openeye Name: 1-[(4-nitrophenyl)methylsulfonyl]piperidin-3-amine CAS Name: 1-[(4-nitrophenyl)methylsulfonyl]-3-piperidinamine IUPAC Name: 1-[(4-nitrophenyl)methylsulfonyl]piperidin-3-amine Traditional Name: [1-(4-nitrobenzyl)sulfonyl-3-piperidyl]amine Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C12H17N3O4S/c13-11-2-1-7-14(8-11)20(18,19)9-10-3-5-12(6-4-10)15(16)17/h3-6,11H,1-2,7-9,13H2