2-[5-azanyl-2-[(3-azanyl-2-oxidanyl-propyl)amino]phenyl]sulfonylethanesulfonic acid

Systemtic Name: 2-[5-azanyl-2-[(3-azanyl-2-oxidanyl-propyl)amino]phenyl]sulfonylethanesulfonic acid Openeye Name: 2-[5-amino-2-[(3-amino-2-hydroxy-propyl)amino]phenyl]sulfonylethanesulfonic acid CAS Name: 2-[5-amino-2-[(3-amino-2-hydroxypropyl)amino]phenyl]sulfonylethanesulfonic acid IUPAC Name: 2-[5-amino-2-[(3-amino-2-hydroxypropyl)amino]phenyl]sulfonylethanesulfonic acid Traditional Name: 2-[5-amino-2-[(3-amino-2-hydroxy-propyl)amino]phenyl]sulfonylethanesulfonic acid Formula: C11H19N3O6S2 MolecularWeight: 353.41506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)CCS(=O)(=O)O)NCC(CN)O

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)CCS(=O)(=O)O)NCC(CN)O

InChI

InChI=1S/C11H19N3O6S2/c12-6-9(15)7-14-10-2-1-8(13)5-11(10)21(16,17)3-4-22(18,19)20/h1-2,5,9,14-15H,3-4,6-7,12-13H2,(H,18,19,20)