4-[2-(2,5-dimethylphenyl)sulfanylpyridin-3-yl]carbonyl-N,N-diethyl-piperazine-1-sulfonamide

Systemtic Name: 4-[2-(2,5-dimethylphenyl)sulfanylpyridin-3-yl]carbonyl-N,N-diethyl-piperazine-1-sulfonamide Openeye Name: 4-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]-N,N-diethyl-piperazine-1-sulfonamide CAS Name: 4-[[2-[(2,5-dimethylphenyl)thio]-3-pyridinyl]-oxomethyl]-N,N-diethyl-1-piperazinesulfonamide IUPAC Name: 4-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]-N,N-diethylpiperazine-1-sulfonamide Traditional Name: 4-[2-[(2,5-dimethylphenyl)thio]nicotinoyl]-N,N-diethyl-piperazine-1-sulfonamide Formula: C22H30N4O3S2 MolecularWeight: 462.6286

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)C2=C(N=CC=C2)SC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)C2=C(N=CC=C2)SC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H30N4O3S2/c1-5-25(6-2)31(28,29)26-14-12-24(13-15-26)22(27)19-8-7-11-23-21(19)30-20-16-17(3)9-10-18(20)4/h7-11,16H,5-6,12-15H2,1-4H3