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2-azanyl-4-[3-(2-hydroxyethylsulfonyl)propylamino]benzenesulfonic acid

2-azanyl-4-[3-(2-hydroxyethylsulfonyl)propylamino]benzenesulfonic acid

Systemtic Name:2-azanyl-4-[3-(2-hydroxyethylsulfonyl)propylamino]benzenesulfonic acid
Openeye Name:2-amino-4-[3-(2-hydroxyethylsulfonyl)propylamino]benzenesulfonic acid
CAS Name:2-amino-4-[3-(2-hydroxyethylsulfonyl)propylamino]benzenesulfonic acid
IUPAC Name:2-amino-4-[3-(2-hydroxyethylsulfonyl)propylamino]benzenesulfonic acid
Traditional Name:2-amino-4-[3-(2-hydroxyethylsulfonyl)propylamino]besylic acid
Formula: C11H18N2O6S2
MolecularWeight: 338.40042
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NCCCS(=O)(=O)CCO)N)S(=O)(=O)O


Isomeric SMILES

C1=CC(=C(C=C1NCCCS(=O)(=O)CCO)N)S(=O)(=O)O


InChI

InChI=1S/C11H18N2O6S2/c12-10-8-9(2-3-11(10)21(17,18)19)13-4-1-6-20(15,16)7-5-14/h2-3,8,13-14H,1,4-7,12H2,(H,17,18,19)


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