N-methyl-4-(3-methylbutylsulfanyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-nitro-benzamide

Systemtic Name: N-methyl-4-(3-methylbutylsulfanyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-nitro-benzamide CAS Name: N-methyl-4-(3-methylbutylthio)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-nitrobenzamide IUPAC Name: N-methyl-4-(3-methylbutylsulfanyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-N-[1-(4-mesylphenyl)ethyl]-N-methyl-3-nitro-benzamide Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)N(C)C(C)C2=CC=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)N(C)C(C)C2=CC=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H28N2O5S2/c1-15(2)12-13-30-21-11-8-18(14-20(21)24(26)27)22(25)23(4)16(3)17-6-9-19(10-7-17)31(5,28)29/h6-11,14-16H,12-13H2,1-5H3