N,N-dimethyl-3-nitro-4-(3-phenylpropylsulfanyl)benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-nitro-4-(3-phenylpropylsulfanyl)benzenesulfonamide Openeye Name: N,N-dimethyl-3-nitro-4-(3-phenylpropylsulfanyl)benzenesulfonamide CAS Name: N,N-dimethyl-3-nitro-4-(3-phenylpropylthio)benzenesulfonamide IUPAC Name: N,N-dimethyl-3-nitro-4-(3-phenylpropylsulfanyl)benzenesulfonamide Traditional Name: N,N-dimethyl-3-nitro-4-(3-phenylpropylthio)benzenesulfonamide Formula: C17H20N2O4S2 MolecularWeight: 380.4817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)SCCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)SCCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O4S2/c1-18(2)25(22,23)15-10-11-17(16(13-15)19(20)21)24-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3