6-[[4-bromanyl-2-(phenylmethyl)phenyl]sulfonylamino]hexanoic acid

Systemtic Name: 6-[[4-bromanyl-2-(phenylmethyl)phenyl]sulfonylamino]hexanoic acid Openeye Name: 6-[(2-benzyl-4-bromo-phenyl)sulfonylamino]hexanoic acid CAS Name: 6-[[4-bromo-2-(phenylmethyl)phenyl]sulfonylamino]hexanoic acid IUPAC Name: 6-[(2-benzyl-4-bromophenyl)sulfonylamino]hexanoic acid Traditional Name: 6-[(2-benzyl-4-bromo-phenyl)sulfonylamino]hexanoic acid Formula: C19H22BrNO4S MolecularWeight: 440.35128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC(=C2)Br)S(=O)(=O)NCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2)Br)S(=O)(=O)NCCCCCC(=O)O

InChI

InChI=1S/C19H22BrNO4S/c20-17-10-11-18(16(14-17)13-15-7-3-1-4-8-15)26(24,25)21-12-6-2-5-9-19(22)23/h1,3-4,7-8,10-11,14,21H,2,5-6,9,12-13H2,(H,22,23)