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

Systemtic Name: N-cyclooctyl-1-(4-fluorophenyl)-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: N-cyclooctyl-1-(4-fluorophenyl)-2-methyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: N-cyclooctyl-1-(4-fluorophenyl)-2-methyl-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: N-cyclooctyl-1-(4-fluorophenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N-cyclooctyl-1-(4-fluorophenyl)-6-keto-4-mesyl-2-methyl-piperazine-2-carboxamide Formula: C21H30FN3O4S MolecularWeight: 439.544003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30FN3O4S/c1-21(20(27)23-17-8-6-4-3-5-7-9-17)15-24(30(2,28)29)14-19(26)25(21)18-12-10-16(22)11-13-18/h10-13,17H,3-9,14-15H2,1-2H3,(H,23,27)