N-[(1S,2S)-2-(4-tert-butylphenyl)sulfanylcyclohexyl]-4-nitro-benzamide

Systemtic Name: N-[(1S,2S)-2-(4-tert-butylphenyl)sulfanylcyclohexyl]-4-nitro-benzamide Openeye Name: N-[(1S,2S)-2-(4-tert-butylphenyl)sulfanylcyclohexyl]-4-nitro-benzamide CAS Name: N-[(1S,2S)-2-[(4-tert-butylphenyl)thio]cyclohexyl]-4-nitrobenzamide IUPAC Name: N-[(1S,2S)-2-(4-tert-butylphenyl)sulfanylcyclohexyl]-4-nitrobenzamide Traditional Name: N-[(1S,2S)-2-[(4-tert-butylphenyl)thio]cyclohexyl]-4-nitro-benzamide Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2CCCCC2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S[C@H]2CCCC[C@@H]2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H28N2O3S/c1-23(2,3)17-10-14-19(15-11-17)29-21-7-5-4-6-20(21)24-22(26)16-8-12-18(13-9-16)25(27)28/h8-15,20-21H,4-7H2,1-3H3,(H,24,26)/t20-,21-/m0/s1