4-[[3-[(2-methylpropan-2-yl)oxy]-2-phenylsulfanyl-propyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[3-[(2-methylpropan-2-yl)oxy]-2-phenylsulfanyl-propyl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[(3-tert-butoxy-2-phenylsulfanyl-propyl)amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[3-[(2-methylpropan-2-yl)oxy]-2-(phenylthio)propyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[3-[(2-methylpropan-2-yl)oxy]-2-phenylsulfanylpropyl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[3-tert-butoxy-2-(phenylthio)propyl]amino]-3-nitro-benzenesulfonamide Formula: C19H25N3O5S2 MolecularWeight: 439.5489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC(CNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])SC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OCC(CNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])SC2=CC=CC=C2

InChI

InChI=1S/C19H25N3O5S2/c1-19(2,3)27-13-15(28-14-7-5-4-6-8-14)12-21-17-10-9-16(29(20,25)26)11-18(17)22(23)24/h4-11,15,21H,12-13H2,1-3H3,(H2,20,25,26)