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

Systemtic Name: 2-azanyl-4-[3-(2-hydroxyethylsulfonyl)propylamino]benzoic acid Openeye Name: 2-amino-4-[3-(2-hydroxyethylsulfonyl)propylamino]benzoic acid CAS Name: 2-amino-4-[3-(2-hydroxyethylsulfonyl)propylamino]benzoic acid IUPAC Name: 2-amino-4-[3-(2-hydroxyethylsulfonyl)propylamino]benzoic acid Traditional Name: 2-amino-4-[3-(2-hydroxyethylsulfonyl)propylamino]benzoic acid Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O5S/c13-11-8-9(2-3-10(11)12(16)17)14-4-1-6-20(18,19)7-5-15/h2-3,8,14-15H,1,4-7,13H2,(H,16,17)