2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]octanoic acid

Systemtic Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]octanoic acid Openeye Name: 2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]octanoic acid CAS Name: 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]octanoic acid IUPAC Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]octanoic acid Traditional Name: 2-(naphthionylamino)caprylic acid Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C

Isomeric SMILES

CCCCCCC(C(=O)O)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C

InChI

InChI=1S/C20H28N2O4S/c1-4-5-6-7-12-17(20(23)24)21-27(25,26)19-14-9-10-15-16(19)11-8-13-18(15)22(2)3/h8-11,13-14,17,21H,4-7,12H2,1-3H3,(H,23,24)