3-ethylsulfonyl-5-(phenylmethyl)-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 3-ethylsulfonyl-5-(phenylmethyl)-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 5-benzyl-3-ethylsulfonyl-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one CAS Name: 3-ethylsulfonyl-5-(phenylmethyl)-10-(1-piperazinyl)-6-benzo[b][1,4]benzoxazepinone IUPAC Name: 5-benzyl-3-ethylsulfonyl-10-piperazin-1-ylbenzo[b][1,4]benzoxazepin-6-one Traditional Name: 5-benzyl-3-esyl-10-piperazino-benzo[b][1,4]benzoxazepin-6-one Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC3=C(C=CC=C3N4CCNCC4)C(=O)N2CC5=CC=CC=C5

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC3=C(C=CC=C3N4CCNCC4)C(=O)N2CC5=CC=CC=C5

InChI

InChI=1S/C26H27N3O4S/c1-2-34(31,32)20-11-12-24-23(17-20)29(18-19-7-4-3-5-8-19)26(30)21-9-6-10-22(25(21)33-24)28-15-13-27-14-16-28/h3-12,17,27H,2,13-16,18H2,1H3