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

Systemtic Name: 4-[2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonyl-N,N-diethyl-piperazine-1-sulfonamide Openeye Name: 4-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]-N,N-diethyl-piperazine-1-sulfonamide CAS Name: 4-[[2-[(3,4-dimethylphenyl)thio]-3-pyridinyl]-oxomethyl]-N,N-diethyl-1-piperazinesulfonamide IUPAC Name: 4-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]-N,N-diethylpiperazine-1-sulfonamide Traditional Name: 4-[2-[(3,4-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=CC(=C(C=C3)C)C

Isomeric SMILES

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

InChI

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