N-cyclohexyl-1-(3-ethanoylphenyl)-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: N-cyclohexyl-1-(3-ethanoylphenyl)-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: 1-(3-acetylphenyl)-N-cyclohexyl-2-methyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: 1-(3-acetylphenyl)-N-cyclohexyl-2-methyl-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: 1-(3-acetylphenyl)-N-cyclohexyl-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: 1-(3-acetylphenyl)-N-cyclohexyl-6-keto-4-mesyl-2-methyl-piperazine-2-carboxamide Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N2C(=O)CN(CC2(C)C(=O)NC3CCCCC3)S(=O)(=O)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N2C(=O)CN(CC2(C)C(=O)NC3CCCCC3)S(=O)(=O)C

InChI

InChI=1S/C21H29N3O5S/c1-15(25)16-8-7-11-18(12-16)24-19(26)13-23(30(3,28)29)14-21(24,2)20(27)22-17-9-5-4-6-10-17/h7-8,11-12,17H,4-6,9-10,13-14H2,1-3H3,(H,22,27)