N-cycloheptyl-4-ethylsulfonyl-1-(4-fluorophenyl)-2-methyl-6-oxidanylidene-piperazine-2-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NC2CCCCCC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NC2CCCCCC2)C3=CC=C(C=C3)F

InChI

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