ethyl 2-[1-[2-(4-methylsulfonylphenyl)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[1-[2-(4-methylsulfonylphenyl)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[1-[2-(4-methylsulfonylphenyl)benzoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[2-(4-methylsulfonylphenyl)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[2-(4-methylsulfonylphenyl)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[2-(4-mesylphenyl)benzoyl]piperazin-2-yl]acetic acid ethyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC=CC=C2C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC=CC=C2C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H24N2O6S/c1-3-30-20(25)14-19-21(26)23-12-13-24(19)22(27)18-7-5-4-6-17(18)15-8-10-16(11-9-15)31(2,28)29/h4-11,19H,3,12-14H2,1-2H3,(H,23,26)