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

Systemtic Name: (2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2R)-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-4-methylsulfanyl-butanoic acid CAS Name: (2R)-2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-4-(methylthio)butanoic acid IUPAC Name: (2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-methylsulfanylbutanoic acid Traditional Name: (2R)-4-(methylthio)-2-(naphthionylamino)butyric acid Formula: C17H22N2O4S2 MolecularWeight: 384.490122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N[C@H](CCS[14CH3])C(=O)O

InChI

InChI=1S/C17H22N2O4S2/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/h4-9,14,18H,10-11H2,1-3H3,(H,20,21)/t14-/m1/s1/i3+2