4-[[1-(2-chlorophenyl)-2-oxidanylidene-butyl]amino]benzenesulfonic acid

Systemtic Name: 4-[[1-(2-chlorophenyl)-2-oxidanylidene-butyl]amino]benzenesulfonic acid Openeye Name: 4-[[1-(2-chlorophenyl)-2-oxo-butyl]amino]benzenesulfonic acid CAS Name: 4-[[1-(2-chlorophenyl)-2-oxobutyl]amino]benzenesulfonic acid IUPAC Name: 4-[[1-(2-chlorophenyl)-2-oxobutyl]amino]benzenesulfonic acid Traditional Name: 4-[[1-(2-chlorophenyl)-2-keto-butyl]amino]besylic acid Formula: C16H16ClNO4S MolecularWeight: 353.82054

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C1=CC=CC=C1Cl)NC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCC(=O)C(C1=CC=CC=C1Cl)NC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C16H16ClNO4S/c1-2-15(19)16(13-5-3-4-6-14(13)17)18-11-7-9-12(10-8-11)23(20,21)22/h3-10,16,18H,2H2,1H3,(H,20,21,22)