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

Systemtic Name: N-(4-methylsulfonylphenyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(4-methylsulfonylphenyl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(4-methylsulfonylphenyl)-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(4-methylsulfonylphenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-(4-mesylphenyl)benzamide Formula: C18H19N3O6S2 MolecularWeight: 437.48996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O6S2/c1-28(24,25)15-7-5-14(6-8-15)20-18(23)13-3-2-4-16(11-13)29(26,27)21-10-9-19-17(22)12-21/h2-8,11H,9-10,12H2,1H3,(H,19,22)(H,20,23)