N-cyclohexylcyclohexanamine; 4-[(2-nitrophenyl)sulfanylamino]butanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; 4-[(2-nitrophenyl)sulfanylamino]butanoic acid Openeye Name: N-cyclohexylcyclohexanamine; 4-[(2-nitrophenyl)sulfanylamino]butanoic acid CAS Name: N-cyclohexylcyclohexanamine; 4-[[(2-nitrophenyl)thio]amino]butanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; 4-[(2-nitrophenyl)sulfanylamino]butanoic acid Traditional Name: dicyclohexylamine; 4-[[(2-nitrophenyl)thio]amino]butyric acid Formula: C22H35N3O4S MolecularWeight: 437.596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23N.C10H12N2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;13-10(14)6-3-7-11-17-9-5-2-1-4-8(9)12(15)16/h11-13H,1-10H2;1-2,4-5,11H,3,6-7H2,(H,13,14)