N-(5-tert-butyl-2-methoxy-phenyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-22(2,3)16-8-9-19(30-4)18(13-16)24-21(27)15-6-5-7-17(12-15)31(28,29)25-11-10-23-20(26)14-25/h5-9,12-13H,10-11,14H2,1-4H3,(H,23,26)(H,24,27)