N-[(1S,2S)-2-methylcyclohexyl]-2-[(1S)-1-(3-nitrophenyl)ethyl]sulfanyl-ethanamide

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(1S)-1-(3-nitrophenyl)ethyl]sulfanyl-ethanamide Openeye Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(1S)-1-(3-nitrophenyl)ethyl]sulfanyl-acetamide CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[[(1S)-1-(3-nitrophenyl)ethyl]thio]acetamide IUPAC Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(1S)-1-(3-nitrophenyl)ethyl]sulfanylacetamide Traditional Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[[(1S)-1-(3-nitrophenyl)ethyl]thio]acetamide Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC(C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)CS[C@@H](C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H24N2O3S/c1-12-6-3-4-9-16(12)18-17(20)11-23-13(2)14-7-5-8-15(10-14)19(21)22/h5,7-8,10,12-13,16H,3-4,6,9,11H2,1-2H3,(H,18,20)/t12-,13-,16-/m0/s1