cyclohexanamine; (2S)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: cyclohexanamine; (2S)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: cyclohexanamine; (2S)-1-[[5-(dimethylamino)-1-naphthyl]sulfonyl]pyrrolidine-2-carboxylic acid CAS Name: cyclohexanamine; (2S)-1-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-2-pyrrolidinecarboxylic acid IUPAC Name: cyclohexanamine; (2S)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: cyclohexylamine; (2S)-1-naphthionylproline Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCCC3C(=O)O.C1CCC(CC1)N

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCC[C@H]3C(=O)O.C1CCC(CC1)N

InChI

InChI=1S/C17H20N2O4S.C6H13N/c1-18(2)14-8-3-7-13-12(14)6-4-10-16(13)24(22,23)19-11-5-9-15(19)17(20)21;7-6-4-2-1-3-5-6/h3-4,6-8,10,15H,5,9,11H2,1-2H3,(H,20,21);6H,1-5,7H2/t15-;/m0./s1