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

Systemtic Name: cyclohexanamine; 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-methyl-butanoic acid Openeye Name: cyclohexanamine; 2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-3-methyl-butanoic acid CAS Name: cyclohexanamine; 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: cyclohexanamine; 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-methylbutanoic acid Traditional Name: cyclohexylamine; 3-methyl-2-(naphthionylamino)butyric acid Formula: C23H35N3O4S MolecularWeight: 449.6067

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C.C1CCC(CC1)N

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C.C1CCC(CC1)N

InChI

InChI=1S/C17H22N2O4S.C6H13N/c1-11(2)16(17(20)21)18-24(22,23)15-10-6-7-12-13(15)8-5-9-14(12)19(3)4;7-6-4-2-1-3-5-6/h5-11,16,18H,1-4H3,(H,20,21);6H,1-5,7H2