2-azanyl-5-[1-ethenylsulfonylethoxy(ethyl)carbamoyl]benzenesulfonic acid

Systemtic Name: 2-azanyl-5-[1-ethenylsulfonylethoxy(ethyl)carbamoyl]benzenesulfonic acid Openeye Name: 2-amino-5-[ethyl(1-vinylsulfonylethoxy)carbamoyl]benzenesulfonic acid CAS Name: 2-amino-5-[[1-ethenylsulfonylethoxy(ethyl)amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-amino-5-[1-ethenylsulfonylethoxy(ethyl)carbamoyl]benzenesulfonic acid Traditional Name: 2-amino-5-[ethyl(1-vinylsulfonylethoxy)carbamoyl]besylic acid Formula: C13H18N2O7S2 MolecularWeight: 378.42122

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C1=CC(=C(C=C1)N)S(=O)(=O)O)OC(C)S(=O)(=O)C=C

Isomeric SMILES

CCN(C(=O)C1=CC(=C(C=C1)N)S(=O)(=O)O)OC(C)S(=O)(=O)C=C

InChI

InChI=1S/C13H18N2O7S2/c1-4-15(22-9(3)23(17,18)5-2)13(16)10-6-7-11(14)12(8-10)24(19,20)21/h5-9H,2,4,14H2,1,3H3,(H,19,20,21)