(2,3,6-trimethylphenyl) 3-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (2,3,6-trimethylphenyl) 3-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzoate Openeye Name: (2,3,6-trimethylphenyl) 3-(3-oxopiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(3-oxo-1-piperazinyl)sulfonyl]benzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 3-(3-oxopiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(3-ketopiperazino)sulfonylbenzoic acid (2,3,6-trimethylphenyl) ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)C

InChI

InChI=1S/C20H22N2O5S/c1-13-7-8-14(2)19(15(13)3)27-20(24)16-5-4-6-17(11-16)28(25,26)22-10-9-21-18(23)12-22/h4-8,11H,9-10,12H2,1-3H3,(H,21,23)