6-(4-ethylpiperazin-1-yl)-8-methylsulfonyl-benzo[b][1,4]benzoxazepine

Systemtic Name: 6-(4-ethylpiperazin-1-yl)-8-methylsulfonyl-benzo[b][1,4]benzoxazepine Openeye Name: 6-(4-ethylpiperazin-1-yl)-8-methylsulfonyl-benzo[b][1,4]benzoxazepine CAS Name: 6-(4-ethyl-1-piperazinyl)-8-methylsulfonylbenzo[b][1,4]benzoxazepine IUPAC Name: 6-(4-ethylpiperazin-1-yl)-8-methylsulfonylbenzo[b][1,4]benzoxazepine Traditional Name: 6-(4-ethylpiperazino)-8-mesyl-benzo[b][1,4]benzoxazepine Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C20H23N3O3S/c1-3-22-10-12-23(13-11-22)20-16-14-15(27(2,24)25)8-9-18(16)26-19-7-5-4-6-17(19)21-20/h4-9,14H,3,10-13H2,1-2H3