N-(2,4-dimethylphenyl)-4-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-4-[2-(4-isopropyl-3-methyl-phenoxy)ethylsulfanyl]-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethylthio]-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-4-[2-(4-isopropyl-3-methyl-phenoxy)ethylthio]-3-nitro-benzenesulfonamide Formula: C26H30N2O5S2 MolecularWeight: 514.6568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)SCCOC3=CC(=C(C=C3)C(C)C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)SCCOC3=CC(=C(C=C3)C(C)C)C)[N+](=O)[O-])C

InChI

InChI=1S/C26H30N2O5S2/c1-17(2)23-9-7-21(15-19(23)4)33-12-13-34-26-11-8-22(16-25(26)28(29)30)35(31,32)27-24-10-6-18(3)14-20(24)5/h6-11,14-17,27H,12-13H2,1-5H3