N-(5-octyl-1,3,4-thiadiazol-2-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C21H29N5O4S2 MolecularWeight: 479.61606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CCCCCCCCC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C21H29N5O4S2/c1-2-3-4-5-6-7-11-19-24-25-21(31-19)23-20(28)16-9-8-10-17(14-16)32(29,30)26-13-12-22-18(27)15-26/h8-10,14H,2-7,11-13,15H2,1H3,(H,22,27)(H,23,25,28)