(1S,2S)-2-(4-nitrophenyl)sulfanyl-N-(phenylmethyl)cyclohexan-1-amine

Systemtic Name: (1S,2S)-2-(4-nitrophenyl)sulfanyl-N-(phenylmethyl)cyclohexan-1-amine Openeye Name: (1S,2S)-N-benzyl-2-(4-nitrophenyl)sulfanyl-cyclohexanamine CAS Name: (1S,2S)-2-[(4-nitrophenyl)thio]-N-(phenylmethyl)-1-cyclohexanamine IUPAC Name: (1S,2S)-N-benzyl-2-(4-nitrophenyl)sulfanylcyclohexan-1-amine Traditional Name: benzyl-[(1S,2S)-2-[(4-nitrophenyl)thio]cyclohexyl]amine Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NCC2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@H](C1)NCC2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O2S/c22-21(23)16-10-12-17(13-11-16)24-19-9-5-4-8-18(19)20-14-15-6-2-1-3-7-15/h1-3,6-7,10-13,18-20H,4-5,8-9,14H2/t18-,19-/m0/s1