N-cyclohexyl-1-(4-fluorophenyl)-2-methyl-6-oxidanylidene-4-propylsulfonyl-piperazine-2-carboxamide

Systemtic Name: N-cyclohexyl-1-(4-fluorophenyl)-2-methyl-6-oxidanylidene-4-propylsulfonyl-piperazine-2-carboxamide Openeye Name: N-cyclohexyl-1-(4-fluorophenyl)-2-methyl-6-oxo-4-propylsulfonyl-piperazine-2-carboxamide CAS Name: N-cyclohexyl-1-(4-fluorophenyl)-2-methyl-6-oxo-4-propylsulfonyl-2-piperazinecarboxamide IUPAC Name: N-cyclohexyl-1-(4-fluorophenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide Traditional Name: N-cyclohexyl-1-(4-fluorophenyl)-6-keto-2-methyl-4-propylsulfonyl-piperazine-2-carboxamide Formula: C21H30FN3O4S MolecularWeight: 439.544003

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NC2CCCCC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NC2CCCCC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H30FN3O4S/c1-3-13-30(28,29)24-14-19(26)25(18-11-9-16(22)10-12-18)21(2,15-24)20(27)23-17-7-5-4-6-8-17/h9-12,17H,3-8,13-15H2,1-2H3,(H,23,27)