N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butyl]-3-sulfanyl-propanamide

Systemtic Name: N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butyl]-3-sulfanyl-propanamide Openeye Name: N-[4-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]butyl]-3-sulfanyl-propanamide CAS Name: N-[4-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]butyl]-3-mercaptopropanamide IUPAC Name: N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butyl]-3-sulfanylpropanamide Traditional Name: 3-mercapto-N-[4-(naphthionylamino)butyl]propionamide Formula: C19H27N3O3S2 MolecularWeight: 409.56598

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCNC(=O)CCS

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCNC(=O)CCS

InChI

InChI=1S/C19H27N3O3S2/c1-22(2)17-9-5-8-16-15(17)7-6-10-18(16)27(24,25)21-13-4-3-12-20-19(23)11-14-26/h5-10,21,26H,3-4,11-14H2,1-2H3,(H,20,23)