N-cyclohexylcyclohexanamine; (2S)-1-(2-nitrophenyl)sulfanyl-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (2S)-1-(2-nitrophenyl)sulfanyl-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: N-cyclohexylcyclohexanamine; (2S)-4-hydroxy-1-(2-nitrophenyl)sulfanyl-pyrrolidine-2-carboxylic acid CAS Name: N-cyclohexylcyclohexanamine; (2S)-4-hydroxy-1-[(2-nitrophenyl)thio]-2-pyrrolidinecarboxylic acid IUPAC Name: N-cyclohexylcyclohexanamine; (2S)-4-hydroxy-1-(2-nitrophenyl)sulfanylpyrrolidine-2-carboxylic acid Traditional Name: dicyclohexylamine; (2S)-4-hydroxy-1-[(2-nitrophenyl)thio]proline Formula: C23H35N3O5S MolecularWeight: 465.6061

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2CCCCC2.C1C(CN(C1C(=O)O)SC2=CC=CC=C2[N+](=O)[O-])O

Isomeric SMILES

C1CCC(CC1)NC2CCCCC2.C1[C@H](N(CC1O)SC2=CC=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H23N.C11H12N2O5S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;14-7-5-9(11(15)16)12(6-7)19-10-4-2-1-3-8(10)13(17)18/h11-13H,1-10H2;1-4,7,9,14H,5-6H2,(H,15,16)/t;7?,9-/m.0/s1