4-[(2-azanyl-2-oxidanylidene-1-piperidin-4-yl-ethyl)amino]benzenesulfonic acid

Systemtic Name: 4-[(2-azanyl-2-oxidanylidene-1-piperidin-4-yl-ethyl)amino]benzenesulfonic acid Openeye Name: 4-[[2-amino-2-oxo-1-(4-piperidyl)ethyl]amino]benzenesulfonic acid CAS Name: 4-[[2-amino-2-oxo-1-(4-piperidinyl)ethyl]amino]benzenesulfonic acid IUPAC Name: 4-[(2-amino-2-oxo-1-piperidin-4-ylethyl)amino]benzenesulfonic acid Traditional Name: 4-[[2-amino-2-keto-1-(4-piperidyl)ethyl]amino]besylic acid Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(C(=O)N)NC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1CNCCC1C(C(=O)N)NC2=CC=C(C=C2)S(=O)(=O)O

InChI

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