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

Systemtic Name: 4-[[1-(2-dimethylaminoethyloxy)-3-phenylsulfanyl-propan-2-yl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[1-(2-dimethylaminoethyloxymethyl)-2-phenylsulfanyl-ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[1-(2-dimethylaminoethyloxy)-3-(phenylthio)propan-2-yl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[1-(2-dimethylaminoethyloxy)-3-phenylsulfanylpropan-2-yl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[1-(2-dimethylaminoethyloxymethyl)-2-(phenylthio)ethyl]amino]-3-nitro-benzenesulfonamide Formula: C19H26N4O5S2 MolecularWeight: 454.56354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O5S2/c1-22(2)10-11-28-13-15(14-29-16-6-4-3-5-7-16)21-18-9-8-17(30(20,26)27)12-19(18)23(24)25/h3-9,12,15,21H,10-11,13-14H2,1-2H3,(H2,20,26,27)