3-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[3-(2-methyl-4-pyrimidinyl)phenyl]-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propane-1-sulfonamide Formula: C21H20N4O2S3 MolecularWeight: 456.6041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NS(=O)(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NS(=O)(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N4O2S3/c1-15-22-11-10-18(23-15)16-6-4-7-17(14-16)25-30(26,27)13-5-12-28-21-24-19-8-2-3-9-20(19)29-21/h2-4,6-11,14,25H,5,12-13H2,1H3