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

Systemtic Name: 6-[[4-nitro-2-(phenylmethyl)phenyl]sulfonylamino]hexanoic acid Openeye Name: 6-[(2-benzyl-4-nitro-phenyl)sulfonylamino]hexanoic acid CAS Name: 6-[[4-nitro-2-(phenylmethyl)phenyl]sulfonylamino]hexanoic acid IUPAC Name: 6-[(2-benzyl-4-nitrophenyl)sulfonylamino]hexanoic acid Traditional Name: 6-[(2-benzyl-4-nitro-phenyl)sulfonylamino]hexanoic acid Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC(=C2)[N+](=O)[O-])S(=O)(=O)NCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2)[N+](=O)[O-])S(=O)(=O)NCCCCCC(=O)O

InChI

InChI=1S/C19H22N2O6S/c22-19(23)9-5-2-6-12-20-28(26,27)18-11-10-17(21(24)25)14-16(18)13-15-7-3-1-4-8-15/h1,3-4,7-8,10-11,14,20H,2,5-6,9,12-13H2,(H,22,23)