N-(3-methylsulfanylphenyl)-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(3-methylsulfanylphenyl)-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(3-methylsulfanylphenyl)-4-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[3-(methylthio)phenyl]-4-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(3-methylsulfanylphenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: 4-(3-ketopiperazino)sulfonyl-N-[3-(methylthio)phenyl]benzamide Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C18H19N3O4S2/c1-26-15-4-2-3-14(11-15)20-18(23)13-5-7-16(8-6-13)27(24,25)21-10-9-19-17(22)12-21/h2-8,11H,9-10,12H2,1H3,(H,19,22)(H,20,23)