2,8-dimethyl-6-(4-propan-2-ylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine

Systemtic Name: 2,8-dimethyl-6-(4-propan-2-ylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Openeye Name: 6-(4-isopropylsulfonylpiperazin-1-yl)-2,8-dimethyl-benzo[b][1,4]benzoxazepine CAS Name: 2,8-dimethyl-6-(4-propan-2-ylsulfonyl-1-piperazinyl)benzo[b][1,4]benzoxazepine IUPAC Name: 2,8-dimethyl-6-(4-propan-2-ylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Traditional Name: 6-(4-isopropylsulfonylpiperazino)-2,8-dimethyl-benzo[b][1,4]benzoxazepine Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=CC(=C3)C)N=C2N4CCN(CC4)S(=O)(=O)C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=CC(=C3)C)N=C2N4CCN(CC4)S(=O)(=O)C(C)C

InChI

InChI=1S/C22H27N3O3S/c1-15(2)29(26,27)25-11-9-24(10-12-25)22-18-13-16(3)6-8-20(18)28-21-14-17(4)5-7-19(21)23-22/h5-8,13-15H,9-12H2,1-4H3