2-azanyl-4-(4-ethenylsulfonylbutanoylamino)benzenesulfonic acid

Systemtic Name: 2-azanyl-4-(4-ethenylsulfonylbutanoylamino)benzenesulfonic acid Openeye Name: 2-amino-4-(4-vinylsulfonylbutanoylamino)benzenesulfonic acid CAS Name: 2-amino-4-[(4-ethenylsulfonyl-1-oxobutyl)amino]benzenesulfonic acid IUPAC Name: 2-amino-4-(4-ethenylsulfonylbutanoylamino)benzenesulfonic acid Traditional Name: 2-amino-4-(4-vinylsulfonylbutanoylamino)besylic acid Formula: C12H16N2O6S2 MolecularWeight: 348.39524

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Descriptors Computed from Structure

Canonical SMILES:

C=CS(=O)(=O)CCCC(=O)NC1=CC(=C(C=C1)S(=O)(=O)O)N

Isomeric SMILES

C=CS(=O)(=O)CCCC(=O)NC1=CC(=C(C=C1)S(=O)(=O)O)N

InChI

InChI=1S/C12H16N2O6S2/c1-2-21(16,17)7-3-4-12(15)14-9-5-6-11(10(13)8-9)22(18,19)20/h2,5-6,8H,1,3-4,7,13H2,(H,14,15)(H,18,19,20)