1-[4-(aminomethyl)phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-(aminomethyl)phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-(aminomethyl)phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[4-(aminomethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(aminomethyl)phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[4-(aminomethyl)phenyl]sulfonylisonipecotic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)CN

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)CN

InChI

InChI=1S/C13H18N2O4S/c14-9-10-1-3-12(4-2-10)20(18,19)15-7-5-11(6-8-15)13(16)17/h1-4,11H,5-9,14H2,(H,16,17)