N-(4-azanylbutyl)-4-methylsulfanyl-1-[2-(naphthalen-2-ylsulfonylamino)ethanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylbutyl)-4-methylsulfanyl-1-[2-(naphthalen-2-ylsulfonylamino)ethanoyl]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminobutyl)-4-methylsulfanyl-1-[2-(2-naphthylsulfonylamino)acetyl]pyrrolidine-2-carboxamide CAS Name: N-(4-aminobutyl)-4-(methylthio)-1-[2-(2-naphthalenylsulfonylamino)-1-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminobutyl)-4-methylsulfanyl-1-[2-(naphthalen-2-ylsulfonylamino)acetyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-aminobutyl)-4-(methylthio)-1-[2-(2-naphthylsulfonylamino)acetyl]pyrrolidine-2-carboxamide Formula: C22H30N4O4S2 MolecularWeight: 478.628

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CC(N(C1)C(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)NCCCCN

Isomeric SMILES

CSC1CC(N(C1)C(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)NCCCCN

InChI

InChI=1S/C22H30N4O4S2/c1-31-18-13-20(22(28)24-11-5-4-10-23)26(15-18)21(27)14-25-32(29,30)19-9-8-16-6-2-3-7-17(16)12-19/h2-3,6-9,12,18,20,25H,4-5,10-11,13-15,23H2,1H3,(H,24,28)