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

Systemtic Name: N-(4-ethylsulfonylphenyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(4-ethylsulfonylphenyl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(4-ethylsulfonylphenyl)-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(4-ethylsulfonylphenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(4-esylphenyl)-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C19H21N3O6S2 MolecularWeight: 451.51654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6S2/c1-2-29(25,26)16-8-6-15(7-9-16)21-19(24)14-4-3-5-17(12-14)30(27,28)22-11-10-20-18(23)13-22/h3-9,12H,2,10-11,13H2,1H3,(H,20,23)(H,21,24)