4-[4-[(5-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(5-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[(5-chloro-2-keto-1,3-benzoxazol-3-yl)methyl]piperazino]sulfonylbenzonitrile Formula: C19H17ClN4O4S MolecularWeight: 432.88068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=C(C=CC(=C3)Cl)OC2=O)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1CN2C3=C(C=CC(=C3)Cl)OC2=O)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C19H17ClN4O4S/c20-15-3-6-18-17(11-15)24(19(25)28-18)13-22-7-9-23(10-8-22)29(26,27)16-4-1-14(12-21)2-5-16/h1-6,11H,7-10,13H2