N-octan-2-yl-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-octan-2-yl-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(1-methylheptyl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-octan-2-yl-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-octan-2-yl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-(1-methylheptyl)benzamide Formula: C19H29N3O4S MolecularWeight: 395.51626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2

Isomeric SMILES

CCCCCCC(C)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2

InChI

InChI=1S/C19H29N3O4S/c1-3-4-5-6-8-15(2)21-19(24)16-9-7-10-17(13-16)27(25,26)22-12-11-20-18(23)14-22/h7,9-10,13,15H,3-6,8,11-12,14H2,1-2H3,(H,20,23)(H,21,24)