ethyl 4-(4-methyl-3-methylsulfonyl-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(4-methyl-3-methylsulfonyl-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(4-methyl-3-methylsulfonyl-benzoyl)piperazine-1-carboxylate CAS Name: 4-[(4-methyl-3-methylsulfonylphenyl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methyl-3-methylsulfonylbenzoyl)piperazine-1-carboxylate Traditional Name: 4-(3-mesyl-4-methyl-benzoyl)piperazine-1-carboxylic acid ethyl ester Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)C

InChI

InChI=1S/C16H22N2O5S/c1-4-23-16(20)18-9-7-17(8-10-18)15(19)13-6-5-12(2)14(11-13)24(3,21)22/h5-6,11H,4,7-10H2,1-3H3