6-[[4-chloranyl-3-(phenylcarbonyl)phenyl]sulfonylamino]hexanoic acid

Systemtic Name: 6-[[4-chloranyl-3-(phenylcarbonyl)phenyl]sulfonylamino]hexanoic acid Openeye Name: 6-[(3-benzoyl-4-chloro-phenyl)sulfonylamino]hexanoic acid CAS Name: 6-[(3-benzoyl-4-chlorophenyl)sulfonylamino]hexanoic acid IUPAC Name: 6-[(3-benzoyl-4-chlorophenyl)sulfonylamino]hexanoic acid Traditional Name: 6-[(3-benzoyl-4-chloro-phenyl)sulfonylamino]hexanoic acid Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)NCCCCCC(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)NCCCCCC(=O)O)Cl

InChI

InChI=1S/C19H20ClNO5S/c20-17-11-10-15(13-16(17)19(24)14-7-3-1-4-8-14)27(25,26)21-12-6-2-5-9-18(22)23/h1,3-4,7-8,10-11,13,21H,2,5-6,9,12H2,(H,22,23)