cyclohexylazanium; 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: cyclohexylazanium; 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: cyclohexylammonium; 2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: cyclohexylammonium; 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-4-(methylthio)butanoate IUPAC Name: cyclohexylazanium; 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: cyclohexylammonium; 4-(methylthio)-2-(naphthionylamino)butyrate Formula: C23H35N3O4S2 MolecularWeight: 481.6717

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CCSC)C(=O)[O-].C1CCC(CC1)[NH3+]

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CCSC)C(=O)[O-].C1CCC(CC1)[NH3+]

InChI

InChI=1S/C17H22N2O4S2.C6H13N/c1-19(2)15-8-4-7-13-12(15)6-5-9-16(13)25(22,23)18-14(17(20)21)10-11-24-3;7-6-4-2-1-3-5-6/h4-9,14,18H,10-11H2,1-3H3,(H,20,21);6H,1-5,7H2