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

Systemtic Name: 4-methyl-N-[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]benzenesulfonamide Openeye Name: 4-methyl-N-[2-naphthylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]benzenesulfonamide CAS Name: N-[(4-mercapto-2-pyrrolidinyl)-(2-naphthalenylsulfonyl)methyl]-4-methylbenzenesulfonamide IUPAC Name: 4-methyl-N-[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]benzenesulfonamide Traditional Name: N-[(4-mercaptopyrrolidin-2-yl)-(2-naphthylsulfonyl)methyl]-4-methyl-benzenesulfonamide Formula: C22H24N2O4S3 MolecularWeight: 476.63196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C2CC(CN2)S)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C2CC(CN2)S)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H24N2O4S3/c1-15-6-9-19(10-7-15)31(27,28)24-22(21-13-18(29)14-23-21)30(25,26)20-11-8-16-4-2-3-5-17(16)12-20/h2-12,18,21-24,29H,13-14H2,1H3