cyclohexylazanium; 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-oxidanyl-butanoate

Systemtic Name: cyclohexylazanium; 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-oxidanyl-butanoate Openeye Name: cyclohexylammonium; 2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-3-hydroxy-butanoate CAS Name: cyclohexylammonium; 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-3-hydroxybutanoate IUPAC Name: cyclohexylazanium; 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-hydroxybutanoate Traditional Name: cyclohexylammonium; 3-hydroxy-2-(naphthionylamino)butyrate Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C)O.C1CCC(CC1)[NH3+]

Isomeric SMILES

CC(C(C(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C)O.C1CCC(CC1)[NH3+]

InChI

InChI=1S/C16H20N2O5S.C6H13N/c1-10(19)15(16(20)21)17-24(22,23)14-9-5-6-11-12(14)7-4-8-13(11)18(2)3;7-6-4-2-1-3-5-6/h4-10,15,17,19H,1-3H3,(H,20,21);6H,1-5,7H2