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

Systemtic Name: 8-methyl-6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 6-(4-benzylsulfonylpiperazin-1-yl)-8-methyl-benzo[b][1,4]benzoxazepine CAS Name: 8-methyl-6-[4-(phenylmethyl)sulfonyl-1-piperazinyl]benzo[b][1,4]benzoxazepine IUPAC Name: 6-(4-benzylsulfonylpiperazin-1-yl)-8-methylbenzo[b][1,4]benzoxazepine Traditional Name: 6-(4-benzylsulfonylpiperazino)-8-methyl-benzo[b][1,4]benzoxazepine Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H25N3O3S/c1-19-11-12-23-21(17-19)25(26-22-9-5-6-10-24(22)31-23)27-13-15-28(16-14-27)32(29,30)18-20-7-3-2-4-8-20/h2-12,17H,13-16,18H2,1H3