cyclohexanamine; 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-oxidanyl-butanoic acid

Systemtic Name: cyclohexanamine; 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-oxidanyl-butanoic acid Openeye Name: cyclohexanamine; 2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-4-hydroxy-butanoic acid CAS Name: cyclohexanamine; 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-4-hydroxybutanoic acid IUPAC Name: cyclohexanamine; 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-hydroxybutanoic acid Traditional Name: cyclohexylamine; 4-hydroxy-2-(naphthionylamino)butyric acid Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CCO)C(=O)O.C1CCC(CC1)N

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CCO)C(=O)O.C1CCC(CC1)N

InChI

InChI=1S/C16H20N2O5S.C6H13N/c1-18(2)14-7-3-6-12-11(14)5-4-8-15(12)24(22,23)17-13(9-10-19)16(20)21;7-6-4-2-1-3-5-6/h3-8,13,17,19H,9-10H2,1-2H3,(H,20,21);6H,1-5,7H2