5-azanyl-2-[2-[2-(2-chloroethylsulfonyl)ethylamino]-2-oxidanylidene-ethoxy]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-[2-[2-(2-chloroethylsulfonyl)ethylamino]-2-oxidanylidene-ethoxy]benzenesulfonic acid Openeye Name: 5-amino-2-[2-[2-(2-chloroethylsulfonyl)ethylamino]-2-oxo-ethoxy]benzenesulfonic acid CAS Name: 5-amino-2-[2-[2-(2-chloroethylsulfonyl)ethylamino]-2-oxoethoxy]benzenesulfonic acid IUPAC Name: 5-amino-2-[2-[2-(2-chloroethylsulfonyl)ethylamino]-2-oxoethoxy]benzenesulfonic acid Traditional Name: 5-amino-2-[2-[2-(2-chloroethylsulfonyl)ethylamino]-2-keto-ethoxy]besylic acid Formula: C12H17ClN2O7S2 MolecularWeight: 400.85558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)O)OCC(=O)NCCS(=O)(=O)CCCl

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)O)OCC(=O)NCCS(=O)(=O)CCCl

InChI

InChI=1S/C12H17ClN2O7S2/c13-3-5-23(17,18)6-4-15-12(16)8-22-10-2-1-9(14)7-11(10)24(19,20)21/h1-2,7H,3-6,8,14H2,(H,15,16)(H,19,20,21)