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

Systemtic Name: 1-(3-chlorophenyl)-N-cyclooctyl-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: 1-(3-chlorophenyl)-N-cyclooctyl-2-methyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: 1-(3-chlorophenyl)-N-cyclooctyl-2-methyl-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: 1-(3-chlorophenyl)-N-cyclooctyl-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: 1-(3-chlorophenyl)-N-cyclooctyl-6-keto-4-mesyl-2-methyl-piperazine-2-carboxamide Formula: C21H30ClN3O4S MolecularWeight: 455.9986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30ClN3O4S/c1-21(20(27)23-17-10-6-4-3-5-7-11-17)15-24(30(2,28)29)14-19(26)25(21)18-12-8-9-16(22)13-18/h8-9,12-13,17H,3-7,10-11,14-15H2,1-2H3,(H,23,27)