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

Systemtic Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[2-(diethylaminomethyl)benzyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C23H30N4O4S/c1-3-26(4-2)16-20-9-6-5-8-19(20)15-25-23(29)18-10-7-11-21(14-18)32(30,31)27-13-12-24-22(28)17-27/h5-11,14H,3-4,12-13,15-17H2,1-2H3,(H,24,28)(H,25,29)