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

Systemtic Name: N-(3-iodanylphenyl)-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(3-iodophenyl)-4-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(3-iodophenyl)-4-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(3-iodophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(3-iodophenyl)-4-(3-ketopiperazino)sulfonyl-benzamide Formula: C17H16IN3O4S MolecularWeight: 485.29611

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C17H16IN3O4S/c18-13-2-1-3-14(10-13)20-17(23)12-4-6-15(7-5-12)26(24,25)21-9-8-19-16(22)11-21/h1-7,10H,8-9,11H2,(H,19,22)(H,20,23)