ethyl 4-[4-(2,5-dimethylphenyl)sulfonyloxyphenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(2,5-dimethylphenyl)sulfonyloxyphenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-(2,5-dimethylphenyl)sulfonyloxybenzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-(2,5-dimethylphenyl)sulfonyloxyphenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2,5-dimethylphenyl)sulfonyloxybenzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(2,5-dimethylphenyl)sulfonyloxybenzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H26N2O6S/c1-4-29-22(26)24-13-11-23(12-14-24)21(25)18-7-9-19(10-8-18)30-31(27,28)20-15-16(2)5-6-17(20)3/h5-10,15H,4,11-14H2,1-3H3