N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[[4-(methylcarbamoyl)phenyl]methyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-[4-(methylcarbamoyl)benzyl]benzamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5S/c1-21-19(26)15-7-5-14(6-8-15)12-23-20(27)16-3-2-4-17(11-16)30(28,29)24-10-9-22-18(25)13-24/h2-8,11H,9-10,12-13H2,1H3,(H,21,26)(H,22,25)(H,23,27)