2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-3-sulfanyl-propanoic acid CAS Name: 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-3-mercaptopropanoic acid IUPAC Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-(naphthionylamino)propionic acid Formula: C15H18N2O4S2 MolecularWeight: 354.44442

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CS)C(=O)O

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CS)C(=O)O

InChI

InChI=1S/C15H18N2O4S2/c1-17(2)13-7-3-6-11-10(13)5-4-8-14(11)23(20,21)16-12(9-22)15(18)19/h3-8,12,16,22H,9H2,1-2H3,(H,18,19)