(4-tert-butyl-2-methyl-phenyl) 3-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 3-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzoate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 3-(3-oxopiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(3-oxo-1-piperazinyl)sulfonyl]benzoic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 3-(3-oxopiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(3-ketopiperazino)sulfonylbenzoic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-15-12-17(22(2,3)4)8-9-19(15)29-21(26)16-6-5-7-18(13-16)30(27,28)24-11-10-23-20(25)14-24/h5-9,12-13H,10-11,14H2,1-4H3,(H,23,25)