ethyl 3-[2-(cyclohexylcarbamoyl)-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[2-(cyclohexylcarbamoyl)-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazin-1-yl]benzoate Openeye Name: ethyl 3-[2-(cyclohexylcarbamoyl)-2-methyl-4-methylsulfonyl-6-oxo-piperazin-1-yl]benzoate CAS Name: 3-[2-[(cyclohexylamino)-oxomethyl]-2-methyl-4-methylsulfonyl-6-oxo-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(cyclohexylcarbamoyl)-2-methyl-4-methylsulfonyl-6-oxopiperazin-1-yl]benzoate Traditional Name: 3-[2-(cyclohexylcarbamoyl)-6-keto-4-mesyl-2-methyl-piperazino]benzoic acid ethyl ester Formula: C22H31N3O6S MolecularWeight: 465.56304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O6S/c1-4-31-20(27)16-9-8-12-18(13-16)25-19(26)14-24(32(3,29)30)15-22(25,2)21(28)23-17-10-6-5-7-11-17/h8-9,12-13,17H,4-7,10-11,14-15H2,1-3H3,(H,23,28)