1-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-[4-methoxy-3-(4-methylsulfonylpiperazin-1-yl)phenyl]hexan-1-one hydrobromide

Systemtic Name: 1-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-[4-methoxy-3-(4-methylsulfonylpiperazin-1-yl)phenyl]hexan-1-one hydrobromide Openeye Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[4-methoxy-3-(4-methylsulfonylpiperazin-1-yl)phenyl]hexan-1-one hydrobromide CAS Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[4-methoxy-3-(4-methylsulfonyl-1-piperazinyl)phenyl]-1-hexanone hydrobromide IUPAC Name: 1-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-[4-methoxy-3-(4-methylsulfonylpiperazin-1-yl)phenyl]hexan-1-one hydrobromide Traditional Name: 1-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-[3-(4-mesylpiperazino)-4-methoxy-phenyl]hexan-1-one hydrobromide Formula: C30H42BrFN4O6S MolecularWeight: 685.645083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=C(C=C1)OC)N2CCN(CC2)S(=O)(=O)C)C(=O)N3CC4=CC(=C(C(=C4C3=N)F)OCC)OCC.Br

Isomeric SMILES

CCCCC(C1=CC(=C(C=C1)OC)N2CCN(CC2)S(=O)(=O)C)C(=O)N3CC4=CC(=C(C(=C4C3=N)F)OCC)OCC.Br

InChI

InChI=1S/C30H41FN4O6S.BrH/c1-6-9-10-22(20-11-12-24(39-4)23(17-20)33-13-15-34(16-14-33)42(5,37)38)30(36)35-19-21-18-25(40-7-2)28(41-8-3)27(31)26(21)29(35)32;/h11-12,17-18,22,32H,6-10,13-16,19H2,1-5H3;1H