N-cyclohexylcyclohexanamine; 2-[(2-nitrophenyl)sulfanylamino]-5-oxidanylidene-5-phenylmethoxy-pentanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; 2-[(2-nitrophenyl)sulfanylamino]-5-oxidanylidene-5-phenylmethoxy-pentanoic acid Openeye Name: 5-benzyloxy-2-[(2-nitrophenyl)sulfanylamino]-5-oxo-pentanoic acid; N-cyclohexylcyclohexanamine CAS Name: N-cyclohexylcyclohexanamine; 2-[[(2-nitrophenyl)thio]amino]-5-oxo-5-phenylmethoxypentanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; 2-[(2-nitrophenyl)sulfanylamino]-5-oxo-5-phenylmethoxypentanoic acid Traditional Name: 5-benzoxy-5-keto-2-[[(2-nitrophenyl)thio]amino]valeric acid; dicyclohexylamine Formula: C30H41N3O6S MolecularWeight: 571.72804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6S.C12H23N/c21-17(26-12-13-6-2-1-3-7-13)11-10-14(18(22)23)19-27-16-9-5-4-8-15(16)20(24)25;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-9,14,19H,10-12H2,(H,22,23);11-13H,1-10H2