N,N-dimethyl-3-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]benzenesulfonamide Openeye Name: N,N-dimethyl-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]benzenesulfonamide CAS Name: N,N-dimethyl-3-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]benzenesulfonamide Traditional Name: N,N-dimethyl-3-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]benzenesulfonamide Formula: C18H23N3O4S3 MolecularWeight: 441.58792

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H23N3O4S3/c1-20(2)27(22,23)16-7-5-6-15(12-16)14-26-18-9-8-17(13-19-18)28(24,25)21-10-3-4-11-21/h5-9,12-13H,3-4,10-11,14H2,1-2H3