N-(4-tert-butylphenyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(4-tert-butylphenyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(4-tert-butylphenyl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(4-tert-butylphenyl)-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(4-tert-butylphenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(4-tert-butylphenyl)-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-21(2,3)16-7-9-17(10-8-16)23-20(26)15-5-4-6-18(13-15)29(27,28)24-12-11-22-19(25)14-24/h4-10,13H,11-12,14H2,1-3H3,(H,22,25)(H,23,26)