N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C20H30N4O4S MolecularWeight: 422.5416

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCCCC1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CN(C)C1(CCCCC1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

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