3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide

Systemtic Name: 3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide Openeye Name: 3-(3-oxopiperazin-1-yl)sulfonyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide CAS Name: 3-[(3-oxo-1-piperazinyl)sulfonyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide IUPAC Name: 3-(3-oxopiperazin-1-yl)sulfonyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide Formula: C20H20N6O4S MolecularWeight: 440.4756

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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)CN4C=NC=N4

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C20H20N6O4S/c27-19-12-26(9-8-22-19)31(29,30)18-3-1-2-16(10-18)20(28)24-17-6-4-15(5-7-17)11-25-14-21-13-23-25/h1-7,10,13-14H,8-9,11-12H2,(H,22,27)(H,24,28)