N-cyclooctyl-2-methyl-1-(3-methylsulfanylphenyl)-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: N-cyclooctyl-2-methyl-1-(3-methylsulfanylphenyl)-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: N-cyclooctyl-2-methyl-1-(3-methylsulfanylphenyl)-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: N-cyclooctyl-2-methyl-4-methylsulfonyl-1-[3-(methylthio)phenyl]-6-oxo-2-piperazinecarboxamide IUPAC Name: N-cyclooctyl-2-methyl-1-(3-methylsulfanylphenyl)-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N-cyclooctyl-6-keto-4-mesyl-2-methyl-1-[3-(methylthio)phenyl]piperazine-2-carboxamide Formula: C22H33N3O4S2 MolecularWeight: 467.64512

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(=O)N1C2=CC(=CC=C2)SC)S(=O)(=O)C)C(=O)NC3CCCCCCC3

Isomeric SMILES

CC1(CN(CC(=O)N1C2=CC(=CC=C2)SC)S(=O)(=O)C)C(=O)NC3CCCCCCC3

InChI

InChI=1S/C22H33N3O4S2/c1-22(21(27)23-17-10-7-5-4-6-8-11-17)16-24(31(3,28)29)15-20(26)25(22)18-12-9-13-19(14-18)30-2/h9,12-14,17H,4-8,10-11,15-16H2,1-3H3,(H,23,27)