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

Systemtic Name: 4-butoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide Openeye Name: 4-butoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide CAS Name: 4-butoxy-N-[3-(2-methyl-4-pyrimidinyl)phenyl]benzenesulfonamide IUPAC Name: 4-butoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide Traditional Name: 4-butoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NC(=NC=C3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NC(=NC=C3)C

InChI

InChI=1S/C21H23N3O3S/c1-3-4-14-27-19-8-10-20(11-9-19)28(25,26)24-18-7-5-6-17(15-18)21-12-13-22-16(2)23-21/h5-13,15,24H,3-4,14H2,1-2H3