2-[4-[2-(1,2-benzoxazol-3-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(1,2-benzoxazol-3-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(1,2-benzoxazol-3-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(1,2-benzoxazol-3-yl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(1,2-benzoxazol-3-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-indoxazen-3-ylacetyl)piperazino]sulfonylbenzonitrile Formula: C20H18N4O4S MolecularWeight: 410.44632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=NOC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CC2=NOC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H18N4O4S/c21-14-15-5-1-4-8-19(15)29(26,27)24-11-9-23(10-12-24)20(25)13-17-16-6-2-3-7-18(16)28-22-17/h1-8H,9-13H2