4-butyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide

Systemtic Name: 4-butyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide Openeye Name: 4-butyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide CAS Name: 4-butyl-N-[3-(2-methyl-4-pyrimidinyl)phenyl]benzenesulfonamide IUPAC Name: 4-butyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide Traditional Name: 4-butyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NC(=NC=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NC(=NC=C3)C

InChI

InChI=1S/C21H23N3O2S/c1-3-4-6-17-9-11-20(12-10-17)27(25,26)24-19-8-5-7-18(15-19)21-13-14-22-16(2)23-21/h5,7-15,24H,3-4,6H2,1-2H3