4-[4-(dimethylamino)-1-phenylsulfanyl-butan-2-yl]oxy-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-(dimethylamino)-1-phenylsulfanyl-butan-2-yl]oxy-3-nitro-benzenesulfonamide Openeye Name: 4-[3-(dimethylamino)-1-(phenylsulfanylmethyl)propoxy]-3-nitro-benzenesulfonamide CAS Name: 4-[4-(dimethylamino)-1-(phenylthio)butan-2-yl]oxy-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]oxy-3-nitrobenzenesulfonamide Traditional Name: 4-[3-(dimethylamino)-1-[(phenylthio)methyl]propoxy]-3-nitro-benzenesulfonamide Formula: C18H23N3O5S2 MolecularWeight: 425.52232

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(CSC1=CC=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCC(CSC1=CC=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O5S2/c1-20(2)11-10-14(13-27-15-6-4-3-5-7-15)26-18-9-8-16(28(19,24)25)12-17(18)21(22)23/h3-9,12,14H,10-11,13H2,1-2H3,(H2,19,24,25)