2-(2-chlorophenyl)sulfonyl-1-[8-(4,6-dimethylpyrimidin-2-yl)octoxy]guanidine

Systemtic Name: 2-(2-chlorophenyl)sulfonyl-1-[8-(4,6-dimethylpyrimidin-2-yl)octoxy]guanidine Openeye Name: 2-(2-chlorophenyl)sulfonyl-1-[8-(4,6-dimethylpyrimidin-2-yl)octoxy]guanidine CAS Name: 2-(2-chlorophenyl)sulfonyl-1-[8-(4,6-dimethyl-2-pyrimidinyl)octoxy]guanidine IUPAC Name: 2-(2-chlorophenyl)sulfonyl-1-[8-(4,6-dimethylpyrimidin-2-yl)octoxy]guanidine Traditional Name: 2-(2-chlorophenyl)sulfonyl-1-[8-(4,6-dimethylpyrimidin-2-yl)octoxy]guanidine Formula: C21H30ClN5O3S MolecularWeight: 468.0126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)CCCCCCCCONC(=NS(=O)(=O)C2=CC=CC=C2Cl)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)CCCCCCCCON/C(=N\S(=O)(=O)C2=CC=CC=C2Cl)/N)C

InChI

InChI=1S/C21H30ClN5O3S/c1-16-15-17(2)25-20(24-16)13-7-5-3-4-6-10-14-30-26-21(23)27-31(28,29)19-12-9-8-11-18(19)22/h8-9,11-12,15H,3-7,10,13-14H2,1-2H3,(H3,23,26,27)