1-tert-butyl-4-[3-cyclohexyl-2-(4-methylphenyl)sulfonyl-2-methylsulfanyl-propyl]-2-nitro-benzene

Systemtic Name: 1-tert-butyl-4-[3-cyclohexyl-2-(4-methylphenyl)sulfonyl-2-methylsulfanyl-propyl]-2-nitro-benzene Openeye Name: 1-tert-butyl-4-[3-cyclohexyl-2-methylsulfanyl-2-(p-tolylsulfonyl)propyl]-2-nitro-benzene CAS Name: 1-tert-butyl-4-[3-cyclohexyl-2-(4-methylphenyl)sulfonyl-2-(methylthio)propyl]-2-nitrobenzene IUPAC Name: 1-tert-butyl-4-[3-cyclohexyl-2-(4-methylphenyl)sulfonyl-2-methylsulfanylpropyl]-2-nitrobenzene Traditional Name: 1-tert-butyl-4-[3-cyclohexyl-2-(methylthio)-2-tosyl-propyl]-2-nitro-benzene Formula: C27H37NO4S2 MolecularWeight: 503.71698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CC2CCCCC2)(CC3=CC(=C(C=C3)C(C)(C)C)[N+](=O)[O-])SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CC2CCCCC2)(CC3=CC(=C(C=C3)C(C)(C)C)[N+](=O)[O-])SC

InChI

InChI=1S/C27H37NO4S2/c1-20-11-14-23(15-12-20)34(31,32)27(33-5,18-21-9-7-6-8-10-21)19-22-13-16-24(26(2,3)4)25(17-22)28(29)30/h11-17,21H,6-10,18-19H2,1-5H3