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

Systemtic Name: 2-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(8-methoxy-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazino]sulfonylbenzonitrile Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=CC=C2C#N)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)OC

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=CC=C2C#N)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)OC

InChI

InChI=1S/C26H24N4O4S/c1-18-17-29(13-14-30(18)35(31,32)25-10-6-3-7-19(25)16-27)26-21-15-20(33-2)11-12-23(21)34-24-9-5-4-8-22(24)28-26/h3-12,15,18H,13-14,17H2,1-2H3