cyclohexanamine; 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: cyclohexanamine; 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-oxidanyl-propanoic acid Openeye Name: cyclohexanamine; 2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-3-hydroxy-propanoic acid CAS Name: cyclohexanamine; 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-3-hydroxypropanoic acid IUPAC Name: cyclohexanamine; 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-hydroxypropanoic acid Traditional Name: cyclohexylamine; 3-hydroxy-2-(naphthionylamino)propionic acid Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O5S.C6H13N/c1-17(2)13-7-3-6-11-10(13)5-4-8-14(11)23(21,22)16-12(9-18)15(19)20;7-6-4-2-1-3-5-6/h3-8,12,16,18H,9H2,1-2H3,(H,19,20);6H,1-5,7H2