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

Systemtic Name: N-cyclooctyl-2-methyl-1-(3-methylsulfanylphenyl)-6-oxidanylidene-4-propylsulfonyl-piperazine-2-carboxamide Openeye Name: N-cyclooctyl-2-methyl-1-(3-methylsulfanylphenyl)-6-oxo-4-propylsulfonyl-piperazine-2-carboxamide CAS Name: N-cyclooctyl-2-methyl-1-[3-(methylthio)phenyl]-6-oxo-4-propylsulfonyl-2-piperazinecarboxamide IUPAC Name: N-cyclooctyl-2-methyl-1-(3-methylsulfanylphenyl)-6-oxo-4-propylsulfonylpiperazine-2-carboxamide Traditional Name: N-cyclooctyl-6-keto-2-methyl-1-[3-(methylthio)phenyl]-4-propylsulfonyl-piperazine-2-carboxamide Formula: C24H37N3O4S2 MolecularWeight: 495.69828

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NC2CCCCCCC2)C3=CC(=CC=C3)SC

Isomeric SMILES

CCCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NC2CCCCCCC2)C3=CC(=CC=C3)SC

InChI

InChI=1S/C24H37N3O4S2/c1-4-15-33(30,31)26-17-22(28)27(20-13-10-14-21(16-20)32-3)24(2,18-26)23(29)25-19-11-8-6-5-7-9-12-19/h10,13-14,16,19H,4-9,11-12,15,17-18H2,1-3H3,(H,25,29)