4-[4-[(3-phenyl-2,1-benzoxazol-5-yl)carbonyl]piperazin-1-yl]sulfonylbenzamide

Systemtic Name: 4-[4-[(3-phenyl-2,1-benzoxazol-5-yl)carbonyl]piperazin-1-yl]sulfonylbenzamide Openeye Name: 4-[4-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperazin-1-yl]sulfonylbenzamide CAS Name: 4-[[4-[oxo-(3-phenyl-2,1-benzoxazol-5-yl)methyl]-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 4-[4-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperazin-1-yl]sulfonylbenzamide Traditional Name: 4-[4-(3-phenylanthranil-5-carbonyl)piperazino]sulfonylbenzamide Formula: C25H22N4O5S MolecularWeight: 490.53098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C(=O)N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C(=O)N

InChI

InChI=1S/C25H22N4O5S/c26-24(30)18-6-9-20(10-7-18)35(32,33)29-14-12-28(13-15-29)25(31)19-8-11-22-21(16-19)23(34-27-22)17-4-2-1-3-5-17/h1-11,16H,12-15H2,(H2,26,30)