2-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(10-methoxy-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazino]sulfonylbenzonitrile Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

COC1=CC=CC2=C1OC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

InChI

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