N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[2-(dimethylaminomethyl)benzyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CN(C)CC1=CC=CC=C1CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C21H26N4O4S/c1-24(2)14-18-7-4-3-6-17(18)13-23-21(27)16-8-5-9-19(12-16)30(28,29)25-11-10-22-20(26)15-25/h3-9,12H,10-11,13-15H2,1-2H3,(H,22,26)(H,23,27)