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

Systemtic Name: N,N-diethyl-4-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[2-(4-isopropyl-3-methyl-phenoxy)ethylsulfanyl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethylthio]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[2-(4-isopropyl-3-methyl-phenoxy)ethylthio]-3-nitro-benzenesulfonamide Formula: C22H30N2O5S2 MolecularWeight: 466.614

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SCCOC2=CC(=C(C=C2)C(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SCCOC2=CC(=C(C=C2)C(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H30N2O5S2/c1-6-23(7-2)31(27,28)19-9-11-22(21(15-19)24(25)26)30-13-12-29-18-8-10-20(16(3)4)17(5)14-18/h8-11,14-16H,6-7,12-13H2,1-5H3