2-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(8-methoxy-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazino]sulfonylbenzonitrile Formula: C25H22N4O4S MolecularWeight: 474.53158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

COC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C25H22N4O4S/c1-32-19-10-11-22-20(16-19)25(27-21-7-3-4-8-23(21)33-22)28-12-14-29(15-13-28)34(30,31)24-9-5-2-6-18(24)17-26/h2-11,16H,12-15H2,1H3