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

Systemtic Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C17H21N5O4S2 MolecularWeight: 423.50974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C17H21N5O4S2/c1-2-3-7-15-20-21-17(27-15)19-16(24)12-5-4-6-13(10-12)28(25,26)22-9-8-18-14(23)11-22/h4-6,10H,2-3,7-9,11H2,1H3,(H,18,23)(H,19,21,24)