3-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)-N-phenethyl-propanamide

Systemtic Name: 3-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)-N-phenethyl-propanamide Openeye Name: 3-[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidin-2-yl]-N-phenethyl-propanamide CAS Name: 3-[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-N-phenethylpropanamide IUPAC Name: 3-(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidin-2-yl)-N-phenethylpropanamide Traditional Name: 3-[4-mercapto-1-(2-naphthylsulfonyl)pyrrolidin-2-yl]-N-phenethyl-propionamide Formula: C25H28N2O3S2 MolecularWeight: 468.63142

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CCC(=O)NCCC2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

C1C(CN(C1CCC(=O)NCCC2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C25H28N2O3S2/c28-25(26-15-14-19-6-2-1-3-7-19)13-11-22-17-23(31)18-27(22)32(29,30)24-12-10-20-8-4-5-9-21(20)16-24/h1-10,12,16,22-23,31H,11,13-15,17-18H2,(H,26,28)