N-(3,4-dimethoxyphenyl)-2-[2-(4-methylsulfonylpiperazin-1-yl)carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[2-(4-methylsulfonylpiperazin-1-yl)carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[2-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]sulfanyl-acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[[2-[(4-methylsulfonyl-1-piperazinyl)-oxomethyl]phenyl]thio]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[2-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]sulfanylacetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[[2-(4-mesylpiperazine-1-carbonyl)phenyl]thio]acetamide Formula: C22H27N3O6S2 MolecularWeight: 493.59628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)S(=O)(=O)C)OC

InChI

InChI=1S/C22H27N3O6S2/c1-30-18-9-8-16(14-19(18)31-2)23-21(26)15-32-20-7-5-4-6-17(20)22(27)24-10-12-25(13-11-24)33(3,28)29/h4-9,14H,10-13,15H2,1-3H3,(H,23,26)