N-(3-chloranyl-4-cyano-phenyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(3-chloro-4-cyanophenyl)-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C18H15ClN4O4S MolecularWeight: 418.8541

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C18H15ClN4O4S/c19-16-9-14(5-4-13(16)10-20)22-18(25)12-2-1-3-15(8-12)28(26,27)23-7-6-21-17(24)11-23/h1-5,8-9H,6-7,11H2,(H,21,24)(H,22,25)