2-[[3-chloranyl-5-(dimethylsulfamoyl)-4-methoxy-naphthalen-1-yl]carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[3-chloranyl-5-(dimethylsulfamoyl)-4-methoxy-naphthalen-1-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[3-chloro-5-(dimethylsulfamoyl)-4-methoxy-naphthalene-1-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[3-chloro-5-(dimethylsulfamoyl)-4-methoxy-1-naphthalenyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[3-chloro-5-(dimethylsulfamoyl)-4-methoxynaphthalene-1-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[3-chloro-5-(dimethylsulfamoyl)-4-methoxy-naphthalene-1-carbothioyl]-methyl-amino]acetic acid Formula: C17H19ClN2O5S2 MolecularWeight: 430.92616

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC2=C1C(=C(C=C2C(=S)N(C)CC(=O)O)Cl)OC

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC2=C1C(=C(C=C2C(=S)N(C)CC(=O)O)Cl)OC

InChI

InChI=1S/C17H19ClN2O5S2/c1-19(2)27(23,24)13-7-5-6-10-11(17(26)20(3)9-14(21)22)8-12(18)16(25-4)15(10)13/h5-8H,9H2,1-4H3,(H,21,22)