N-cyclohexylcyclohexanamine; 3-[(2-nitrophenyl)sulfanylamino]propanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; 3-[(2-nitrophenyl)sulfanylamino]propanoic acid Openeye Name: N-cyclohexylcyclohexanamine; 3-[(2-nitrophenyl)sulfanylamino]propanoic acid CAS Name: N-cyclohexylcyclohexanamine; 3-[[(2-nitrophenyl)thio]amino]propanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; 3-[(2-nitrophenyl)sulfanylamino]propanoic acid Traditional Name: dicyclohexylamine; 3-[[(2-nitrophenyl)thio]amino]propionic acid Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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