3-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-N-methylsulfonyl-propanamide

Systemtic Name: 3-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-N-methylsulfonyl-propanamide Openeye Name: 3-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-N-methylsulfonyl-propanamide CAS Name: 3-[4-(8-methoxy-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-N-methylsulfonylpropanamide IUPAC Name: 3-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-N-methylsulfonylpropanamide Traditional Name: N-mesyl-3-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazino]propionamide Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)CCC(=O)NS(=O)(=O)C

Isomeric SMILES

COC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)CCC(=O)NS(=O)(=O)C

InChI

InChI=1S/C22H26N4O5S/c1-30-16-7-8-19-17(15-16)22(23-18-5-3-4-6-20(18)31-19)26-13-11-25(12-14-26)10-9-21(27)24-32(2,28)29/h3-8,15H,9-14H2,1-2H3,(H,24,27)