N-[4-(2-cyanopropan-2-yl)phenyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[4-(2-cyanopropan-2-yl)phenyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[4-(1-cyano-1-methyl-ethyl)phenyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[4-(2-cyanopropan-2-yl)phenyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[4-(2-cyanopropan-2-yl)phenyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[4-(1-cyano-1-methyl-ethyl)phenyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4S/c1-21(2,14-22)16-6-8-17(9-7-16)24-20(27)15-4-3-5-18(12-15)30(28,29)25-11-10-23-19(26)13-25/h3-9,12H,10-11,13H2,1-2H3,(H,23,26)(H,24,27)