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

Systemtic Name: cyclohexanamine; (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoic acid Openeye Name: cyclohexanamine; (2S)-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]propanoic acid CAS Name: cyclohexanamine; (2S)-2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]propanoic acid IUPAC Name: cyclohexanamine; (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoic acid Traditional Name: cyclohexylamine; (2S)-2-(naphthionylamino)propionic acid Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)O)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C.C1CCC(CC1)N

InChI

InChI=1S/C15H18N2O4S.C6H13N/c1-10(15(18)19)16-22(20,21)14-9-5-6-11-12(14)7-4-8-13(11)17(2)3;7-6-4-2-1-3-5-6/h4-10,16H,1-3H3,(H,18,19);6H,1-5,7H2/t10-;/m0./s1