N-(2-dimethylaminoethyl)-4-(4-methylsulfanylphenoxy)-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-(4-methylsulfanylphenoxy)-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-(4-methylsulfanylphenoxy)-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[4-(methylthio)phenoxy]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-(4-methylsulfanylphenoxy)-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[4-(methylthio)phenoxy]-3-nitro-benzenesulfonamide Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5S2/c1-19(2)11-10-18-27(23,24)15-8-9-17(16(12-15)20(21)22)25-13-4-6-14(26-3)7-5-13/h4-9,12,18H,10-11H2,1-3H3