4-[[1-[(2-methylpropan-2-yl)oxy]-3-phenylsulfanyl-propan-2-yl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[1-[(2-methylpropan-2-yl)oxy]-3-phenylsulfanyl-propan-2-yl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[1-(tert-butoxymethyl)-2-phenylsulfanyl-ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[1-[(2-methylpropan-2-yl)oxy]-3-(phenylthio)propan-2-yl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[1-[(2-methylpropan-2-yl)oxy]-3-phenylsulfanylpropan-2-yl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[1-(tert-butoxymethyl)-2-(phenylthio)ethyl]amino]-3-nitro-benzenesulfonamide Formula: C19H25N3O5S2 MolecularWeight: 439.5489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

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