N-cyclohexylcyclohexanamine; (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanedioic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanedioic acid Openeye Name: N-cyclohexylcyclohexanamine; (2S)-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]pentanedioic acid CAS Name: N-cyclohexylcyclohexanamine; (2S)-2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]pentanedioic acid IUPAC Name: N-cyclohexylcyclohexanamine; (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanedioic acid Traditional Name: dicyclohexylamine; (2S)-2-(naphthionylamino)glutaric acid Formula: C41H66N4O6S MolecularWeight: 743.05094

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CCC(=O)O)C(=O)O.C1CCC(CC1)NC2CCCCC2.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O.C1CCC(CC1)NC2CCCCC2.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C17H20N2O6S.2C12H23N/c1-19(2)14-7-3-6-12-11(14)5-4-8-15(12)26(24,25)18-13(17(22)23)9-10-16(20)21;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-8,13,18H,9-10H2,1-2H3,(H,20,21)(H,22,23);2*11-13H,1-10H2/t13-;;/m0../s1