[1-[(4-nitrophenyl)methylsulfonyl]piperidin-4-yl]methanamine

Systemtic Name: [1-[(4-nitrophenyl)methylsulfonyl]piperidin-4-yl]methanamine Openeye Name: [1-[(4-nitrophenyl)methylsulfonyl]-4-piperidyl]methanamine CAS Name: [1-[(4-nitrophenyl)methylsulfonyl]-4-piperidinyl]methanamine IUPAC Name: [1-[(4-nitrophenyl)methylsulfonyl]piperidin-4-yl]methanamine Traditional Name: [1-(4-nitrobenzyl)sulfonyl-4-piperidyl]methylamine Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN)S(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CN)S(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O4S/c14-9-11-5-7-15(8-6-11)21(19,20)10-12-1-3-13(4-2-12)16(17)18/h1-4,11H,5-10,14H2