3-methyl-1-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)butan-1-one

Systemtic Name: 3-methyl-1-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)butan-1-one Openeye Name: 3-methyl-1-[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidin-2-yl]butan-1-one CAS Name: 1-[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-3-methyl-1-butanone IUPAC Name: 3-methyl-1-(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidin-2-yl)butan-1-one Traditional Name: 1-[4-mercapto-1-(2-naphthylsulfonyl)pyrrolidin-2-yl]-3-methyl-butan-1-one Formula: C19H23NO3S2 MolecularWeight: 377.52082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1CC(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)S

Isomeric SMILES

CC(C)CC(=O)C1CC(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)S

InChI

InChI=1S/C19H23NO3S2/c1-13(2)9-19(21)18-11-16(24)12-20(18)25(22,23)17-8-7-14-5-3-4-6-15(14)10-17/h3-8,10,13,16,18,24H,9,11-12H2,1-2H3