methyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-methyl-3-nitrososulfanyl-butanoate

Systemtic Name: methyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-methyl-3-nitrososulfanyl-butanoate Openeye Name: methyl 2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-3-methyl-3-nitrososulfanyl-butanoate CAS Name: 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-3-methyl-3-(nitrosothio)butanoic acid methyl ester IUPAC Name: methyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-methyl-3-nitrososulfanylbutanoate Traditional Name: 3-methyl-2-(naphthionylamino)-3-(nitrosothio)butyric acid methyl ester Formula: C18H23N3O5S2 MolecularWeight: 425.52232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)OC)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C)SN=O

Isomeric SMILES

CC(C)(C(C(=O)OC)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C)SN=O

InChI

InChI=1S/C18H23N3O5S2/c1-18(2,27-20-23)16(17(22)26-5)19-28(24,25)15-11-7-8-12-13(15)9-6-10-14(12)21(3)4/h6-11,16,19H,1-5H3