N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-ethylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-1-esyl-isonipecotamide Formula: C20H26N4O3S2 MolecularWeight: 434.57544

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C20H26N4O3S2/c1-4-29(26,27)24-11-9-16(10-12-24)19(25)23-17-5-7-18(8-6-17)28-20-21-14(2)13-15(3)22-20/h5-8,13,16H,4,9-12H2,1-3H3,(H,23,25)