N-(2-methyl-2-piperidin-1-yl-propyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(2-methyl-2-piperidin-1-yl-propyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[2-methyl-2-(1-piperidyl)propyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[2-methyl-2-(1-piperidinyl)propyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(2-methyl-2-piperidin-1-ylpropyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-(2-methyl-2-piperidino-propyl)benzamide Formula: C20H30N4O4S MolecularWeight: 422.5416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2)N3CCCCC3

Isomeric SMILES

CC(C)(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2)N3CCCCC3

InChI

InChI=1S/C20H30N4O4S/c1-20(2,23-10-4-3-5-11-23)15-22-19(26)16-7-6-8-17(13-16)29(27,28)24-12-9-21-18(25)14-24/h6-8,13H,3-5,9-12,14-15H2,1-2H3,(H,21,25)(H,22,26)