4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-2-nitro-phenol

Systemtic Name: 4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-2-nitro-phenol Openeye Name: 4-[[4-(aminomethyl)-1-piperidyl]sulfonyl]-2-nitro-phenol CAS Name: 4-[[4-(aminomethyl)-1-piperidinyl]sulfonyl]-2-nitrophenol IUPAC Name: 4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-2-nitrophenol Traditional Name: 4-[4-(aminomethyl)piperidino]sulfonyl-2-nitro-phenol Formula: C12H17N3O5S MolecularWeight: 315.34548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O5S/c13-8-9-3-5-14(6-4-9)21(19,20)10-1-2-12(16)11(7-10)15(17)18/h1-2,7,9,16H,3-6,8,13H2