2-azanyl-4-[2-(methylamino)ethanoylamino]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[2-(methylamino)ethanoylamino]benzenesulfonic acid Openeye Name: 2-amino-4-[[2-(methylamino)acetyl]amino]benzenesulfonic acid CAS Name: 2-amino-4-[[2-(methylamino)-1-oxoethyl]amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[[2-(methylamino)acetyl]amino]benzenesulfonic acid Traditional Name: 2-amino-4-(sarcosylamino)besylic acid Formula: C9H13N3O4S MolecularWeight: 259.28222

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(=O)NC1=CC(=C(C=C1)S(=O)(=O)O)N

Isomeric SMILES

CNCC(=O)NC1=CC(=C(C=C1)S(=O)(=O)O)N

InChI

InChI=1S/C9H13N3O4S/c1-11-5-9(13)12-6-2-3-8(7(10)4-6)17(14,15)16/h2-4,11H,5,10H2,1H3,(H,12,13)(H,14,15,16)