N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)C

InChI

InChI=1S/C18H18N4O4S2/c1-11-12(2)27-18(15(11)9-19)21-17(24)13-4-3-5-14(8-13)28(25,26)22-7-6-20-16(23)10-22/h3-5,8H,6-7,10H2,1-2H3,(H,20,23)(H,21,24)