8-methoxy-6-(4-methylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine

Systemtic Name: 8-methoxy-6-(4-methylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Openeye Name: 8-methoxy-6-(4-methylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine CAS Name: 8-methoxy-6-(4-methylsulfonyl-1-piperazinyl)benzo[b][1,4]benzoxazepine IUPAC Name: 8-methoxy-6-(4-methylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Traditional Name: 6-(4-mesylpiperazino)-8-methoxy-benzo[b][1,4]benzoxazepine Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-25-14-7-8-17-15(13-14)19(20-16-5-3-4-6-18(16)26-17)21-9-11-22(12-10-21)27(2,23)24/h3-8,13H,9-12H2,1-2H3