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

Systemtic Name: N-cyclohexylcyclohexanamine; 2-[(2-nitrophenyl)sulfanylamino]-3-phenyl-propanoic acid Openeye Name: N-cyclohexylcyclohexanamine; 2-[(2-nitrophenyl)sulfanylamino]-3-phenyl-propanoic acid CAS Name: N-cyclohexylcyclohexanamine; 2-[[(2-nitrophenyl)thio]amino]-3-phenylpropanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; 2-[(2-nitrophenyl)sulfanylamino]-3-phenylpropanoic acid Traditional Name: dicyclohexylamine; 2-[[(2-nitrophenyl)thio]amino]-3-phenyl-propionic acid Formula: C27H37N3O4S MolecularWeight: 499.66538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2CCCCC2.C1=CC=C(C=C1)CC(C(=O)O)NSC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC2CCCCC2.C1=CC=C(C=C1)CC(C(=O)O)NSC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O4S.C12H23N/c18-15(19)12(10-11-6-2-1-3-7-11)16-22-14-9-5-4-8-13(14)17(20)21;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-9,12,16H,10H2,(H,18,19);11-13H,1-10H2