N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-2-naphthalen-2-ylsulfanyl-ethanamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-2-naphthalen-2-ylsulfanyl-ethanamide Openeye Name: N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-2-(2-naphthylsulfanyl)acetamide CAS Name: N-[5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)phenyl]-2-(2-naphthalenylthio)acetamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-naphthalen-2-ylsulfanylacetamide Traditional Name: N-[5-(diethylsulfamoyl)-2-pyrrolidino-phenyl]-2-(2-naphthylthio)acetamide Formula: C26H31N3O3S2 MolecularWeight: 497.67264

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H31N3O3S2/c1-3-29(4-2)34(31,32)23-13-14-25(28-15-7-8-16-28)24(18-23)27-26(30)19-33-22-12-11-20-9-5-6-10-21(20)17-22/h5-6,9-14,17-18H,3-4,7-8,15-16,19H2,1-2H3,(H,27,30)