N-cyclohexylcyclohexanamine; 2-[(2-nitrophenyl)sulfanylamino]propanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; 2-[(2-nitrophenyl)sulfanylamino]propanoic acid Openeye Name: N-cyclohexylcyclohexanamine; 2-[(2-nitrophenyl)sulfanylamino]propanoic acid CAS Name: N-cyclohexylcyclohexanamine; 2-[[(2-nitrophenyl)thio]amino]propanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; 2-[(2-nitrophenyl)sulfanylamino]propanoic acid Traditional Name: dicyclohexylamine; 2-[[(2-nitrophenyl)thio]amino]propionic acid Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NSC1=CC=CC=C1[N+](=O)[O-].C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

CC(C(=O)O)NSC1=CC=CC=C1[N+](=O)[O-].C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C12H23N.C9H10N2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6(9(12)13)10-16-8-5-3-2-4-7(8)11(14)15/h11-13H,1-10H2;2-6,10H,1H3,(H,12,13)