2-azanyl-5-[2-(2-ethenylsulfonylethoxy)ethylcarbamoyl]benzenesulfonic acid

Systemtic Name: 2-azanyl-5-[2-(2-ethenylsulfonylethoxy)ethylcarbamoyl]benzenesulfonic acid Openeye Name: 2-amino-5-[2-(2-vinylsulfonylethoxy)ethylcarbamoyl]benzenesulfonic acid CAS Name: 2-amino-5-[[2-(2-ethenylsulfonylethoxy)ethylamino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-amino-5-[2-(2-ethenylsulfonylethoxy)ethylcarbamoyl]benzenesulfonic acid Traditional Name: 2-amino-5-[2-(2-vinylsulfonylethoxy)ethylcarbamoyl]besylic acid Formula: C13H18N2O7S2 MolecularWeight: 378.42122

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Descriptors Computed from Structure

Canonical SMILES:

C=CS(=O)(=O)CCOCCNC(=O)C1=CC(=C(C=C1)N)S(=O)(=O)O

Isomeric SMILES

C=CS(=O)(=O)CCOCCNC(=O)C1=CC(=C(C=C1)N)S(=O)(=O)O

InChI

InChI=1S/C13H18N2O7S2/c1-2-23(17,18)8-7-22-6-5-15-13(16)10-3-4-11(14)12(9-10)24(19,20)21/h2-4,9H,1,5-8,14H2,(H,15,16)(H,19,20,21)