8-methyl-6-[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine

Systemtic Name: 8-methyl-6-[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 6-(4-benzylsulfonyl-1,4-diazepan-1-yl)-8-methyl-benzo[b][1,4]benzoxazepine CAS Name: 8-methyl-6-[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine IUPAC Name: 6-(4-benzylsulfonyl-1,4-diazepan-1-yl)-8-methylbenzo[b][1,4]benzoxazepine Traditional Name: 6-(4-benzylsulfonyl-1,4-diazepan-1-yl)-8-methyl-benzo[b][1,4]benzoxazepine Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCCN(CC4)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCCN(CC4)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C26H27N3O3S/c1-20-12-13-24-22(18-20)26(27-23-10-5-6-11-25(23)32-24)28-14-7-15-29(17-16-28)33(30,31)19-21-8-3-2-4-9-21/h2-6,8-13,18H,7,14-17,19H2,1H3