N-[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]benzamide

Systemtic Name: N-[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]benzamide Openeye Name: N-[2-naphthylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]benzamide CAS Name: N-[(4-mercapto-2-pyrrolidinyl)-(2-naphthalenylsulfonyl)methyl]benzamide IUPAC Name: N-[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]benzamide Traditional Name: N-[(4-mercaptopyrrolidin-2-yl)-(2-naphthylsulfonyl)methyl]benzamide Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(NC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

C1C(CNC1C(NC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C22H22N2O3S2/c25-21(16-7-2-1-3-8-16)24-22(20-13-18(28)14-23-20)29(26,27)19-11-10-15-6-4-5-9-17(15)12-19/h1-12,18,20,22-23,28H,13-14H2,(H,24,25)