5-(dimethylamino)-N-(4-nitrososulfanyl-1-oxidanyl-butan-2-yl)naphthalene-1-sulfonamide

Systemtic Name: 5-(dimethylamino)-N-(4-nitrososulfanyl-1-oxidanyl-butan-2-yl)naphthalene-1-sulfonamide Openeye Name: 5-(dimethylamino)-N-[1-(hydroxymethyl)-3-nitrososulfanyl-propyl]naphthalene-1-sulfonamide CAS Name: 5-(dimethylamino)-N-[1-hydroxy-4-(nitrosothio)butan-2-yl]-1-naphthalenesulfonamide IUPAC Name: 5-(dimethylamino)-N-(1-hydroxy-4-nitrososulfanylbutan-2-yl)naphthalene-1-sulfonamide Traditional Name: 5-(dimethylamino)-N-[1-methylol-3-(nitrosothio)propyl]naphthalene-1-sulfonamide Formula: C16H21N3O4S2 MolecularWeight: 383.48564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S2/c1-19(2)15-7-3-6-14-13(15)5-4-8-16(14)25(22,23)17-12(11-20)9-10-24-18-21/h3-8,12,17,20H,9-11H2,1-2H3