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

Systemtic Name: 2-[4-(aminomethyl)piperidin-1-yl]-4-nitro-benzenesulfonamide Openeye Name: 2-[4-(aminomethyl)-1-piperidyl]-4-nitro-benzenesulfonamide CAS Name: 2-[4-(aminomethyl)-1-piperidinyl]-4-nitrobenzenesulfonamide IUPAC Name: 2-[4-(aminomethyl)piperidin-1-yl]-4-nitrobenzenesulfonamide Traditional Name: 2-[4-(aminomethyl)piperidino]-4-nitro-benzenesulfonamide Formula: C12H18N4O4S MolecularWeight: 314.36072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O4S/c13-8-9-3-5-15(6-4-9)11-7-10(16(17)18)1-2-12(11)21(14,19)20/h1-2,7,9H,3-6,8,13H2,(H2,14,19,20)