4-[2-chloranylethanoyl-[3-(diethylamino)phenyl]amino]oxybenzenesulfonic acid

Systemtic Name: 4-[2-chloranylethanoyl-[3-(diethylamino)phenyl]amino]oxybenzenesulfonic acid Openeye Name: 4-[N-(2-chloroacetyl)-3-(diethylamino)anilino]oxybenzenesulfonic acid CAS Name: 4-[N-(2-chloro-1-oxoethyl)-3-(diethylamino)anilino]oxybenzenesulfonic acid IUPAC Name: 4-[N-(2-chloroacetyl)-3-(diethylamino)anilino]oxybenzenesulfonic acid Traditional Name: 4-[N-(2-chloroacetyl)-3-(diethylamino)anilino]oxybesylic acid Formula: C18H21ClN2O5S MolecularWeight: 412.88774

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=CC(=C1)N(C(=O)CCl)OC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCN(CC)C1=CC=CC(=C1)N(C(=O)CCl)OC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C18H21ClN2O5S/c1-3-20(4-2)14-6-5-7-15(12-14)21(18(22)13-19)26-16-8-10-17(11-9-16)27(23,24)25/h5-12H,3-4,13H2,1-2H3,(H,23,24,25)