(2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-methylsulfanyl-butanoic acid; piperidine

Systemtic Name: (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-methylsulfanyl-butanoic acid; piperidine Openeye Name: (2S)-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-4-methylsulfanyl-butanoic acid; piperidine CAS Name: (2S)-2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-4-(methylthio)butanoic acid; piperidine IUPAC Name: (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-methylsulfanylbutanoic acid; piperidine Traditional Name: (2S)-4-(methylthio)-2-(naphthionylamino)butyric acid; piperidine Formula: C22H33N3O4S2 MolecularWeight: 467.64512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CCSC)C(=O)O.C1CCNCC1

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N[C@@H](CCSC)C(=O)O.C1CCNCC1

InChI

InChI=1S/C17H22N2O4S2.C5H11N/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;1-2-4-6-5-3-1/h4-9,14,18H,10-11H2,1-3H3,(H,20,21);6H,1-5H2/t14-;/m0./s1