2-[5-azanyl-2-[3-(2-hydroxyethylsulfonyl)propylamino]phenyl]sulfonylethanesulfonic acid

Systemtic Name: 2-[5-azanyl-2-[3-(2-hydroxyethylsulfonyl)propylamino]phenyl]sulfonylethanesulfonic acid Openeye Name: 2-[5-amino-2-[3-(2-hydroxyethylsulfonyl)propylamino]phenyl]sulfonylethanesulfonic acid CAS Name: 2-[5-amino-2-[3-(2-hydroxyethylsulfonyl)propylamino]phenyl]sulfonylethanesulfonic acid IUPAC Name: 2-[5-amino-2-[3-(2-hydroxyethylsulfonyl)propylamino]phenyl]sulfonylethanesulfonic acid Traditional Name: 2-[5-amino-2-[3-(2-hydroxyethylsulfonyl)propylamino]phenyl]sulfonylethanesulfonic acid Formula: C13H22N2O8S3 MolecularWeight: 430.51738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)CCS(=O)(=O)O)NCCCS(=O)(=O)CCO

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)CCS(=O)(=O)O)NCCCS(=O)(=O)CCO

InChI

InChI=1S/C13H22N2O8S3/c14-11-2-3-12(15-4-1-6-24(17,18)7-5-16)13(10-11)25(19,20)8-9-26(21,22)23/h2-3,10,15-16H,1,4-9,14H2,(H,21,22,23)