N-(7-methyloctyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(7-methyloctyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(7-methyloctyl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(7-methyloctyl)-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(7-methyloctyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-(7-methyloctyl)benzamide Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2

Isomeric SMILES

CC(C)CCCCCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2

InChI

InChI=1S/C20H31N3O4S/c1-16(2)8-5-3-4-6-11-22-20(25)17-9-7-10-18(14-17)28(26,27)23-13-12-21-19(24)15-23/h7,9-10,14,16H,3-6,8,11-13,15H2,1-2H3,(H,21,24)(H,22,25)